unithiol | 4076-02-2

• 物质功能分类: 原料药 - 专科用药 - 解毒药
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: unithiol
• 英文别名: 2,3-dimercaptopropane-1-sulfonic acid sodium salt；Dimaval；DL-2,3-dimercapto-1-propansulfonic acid sodium salt；2,3-dimercapto-1-propanesulfonic acid sodium salt；sodium 2,3-dimercapto-1-propanesulfonate；sodium 2,3-dimercaptopropane-1-sulfonate；sodium;2,3-bis(sulfanyl)propane-1-sulfonate
• CAS: 4076-02-2
• 化学式: C₃H₇O₃S₃*Na
• 分子量: 210.275
• InChiKey: FGGPAWQCCGEWTJ-UHFFFAOYSA-M

物化性质

• 熔点：
  215 °C (dec.)
• 溶解度：
  H2O：0.1 g/mL，澄清
• 稳定性/保质期：
  在常温常压下，该物质为稳定的白色叶状结晶，易溶于水而不溶于乙醇，熔点为235℃。其半数致死量（通过小鼠腹腔注射）为5.22毫摩尔/千克。市场上也有含1分子结晶水的产品销售。

计算性质

• 辛醇/水分配系数(LogP)：
  -3.24
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  5

ADMET

毒理性

• 副作用

其他毒物 - 化学窒息剂

Other Poison - Chemical Asphyxiant

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• RTECS号：
  TZ6420000
• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P260,P264,P270,P273,P280,P301+P312+P330,P304+P312,P305+P351+P338,P314,P337+P313,P391,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H319,H332,H372,H400
• 储存条件：
  请将药品存放在避光、通风干燥的地方，并密封保存。

SDS

Name:	Dl-2 3-Dimercapto-1-Propanesulfonic Acid Sodium Salt Monohydrate Material Safety Data Sheet
Synonym:	DMP
CAS:	4076-02-2

Section 1 - Chemical Product MSDS Name:Dl-2 3-Dimercapto-1-Propanesulfonic Acid Sodium Salt Monohydrate Material Safety Data Sheet
Synonym:DMP

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4076-02-2	DI-2,3-Dimercapto-1-Propanesulfonic Ac	95%	223-796-3

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Air sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4076-02-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: 5.0 0.5
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 229 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H7O3S3Na.H2O
Molecular Weight: 228.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4076-02-2: TZ6420000 LD50/LC50:
Not available.
Carcinogenicity:
DI-2,3-Dimercapto-1-Propanesulfonic Acid, Sodium Salt Monohydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 4076-02-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4076-02-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4076-02-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

2,3-二巯基丙磺酸钠（Na-DMPS）是一种解毒剂，可用作汞、砷、铜、镉等重金属的有效解毒药物。

合成

2,3-二巯基丙磺酸钠是以烯丙基磺酸钠为原料，通过巯基化反应制备的。

反应信息

• 作为反应物：
  描述：

  unithiol 在 lead(IV) tetraacetate 、 肼 作用下， 以 水 为溶剂， 反应 1.0h， 生成 Pb{Pb(C3H5O3S3)}2
  参考文献：
  名称：

  一种改进的2，3-二巯基丙磺酸钠的合成方法

  摘要：

  本发明属于有机或药物合成领域，涉及一种改进的2,3‑二巯基丙磺酸钠的合成方法。本发明的技术解决方案为：巯基化反应，硫氢化钠(钾)溶液PH值是巯基化反应的重要工艺参数，本发明是用市售NaHS固体用水溶解，用浓盐酸等卤代酸中和至PH＝6.5～7，再和二溴丙磺酸钠反应，同样为2,3‑二巯基丙磺酸钠的巯基化反应提供了高选择性的环境和条件，避免使用到剧毒气体硫化氢，改善工况条件。同时脱铅反应用氯化氢甲醇溶液，避免使用对环境有影响的剧毒气体硫化氢，改善工况条件。

  公开号：

  CN104311466B
• 作为产物：
  描述：

  二巯基丙磺酸钠 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 以80.9%的产率得到unithiol
  参考文献：
  名称：

  一种制备2,3-二巯基丙磺酸钠的方法

  摘要：

  本发明属于药物合成技术领域，具体涉及一种制备2,3‑二巯基丙磺酸钠的方法。本发明以烯丙基磺酸钠为起始原料，经过溴化反应，巯基化反应，成铅盐反应，脱铅反应，精制得到高含量的2,3‑二巯基丙磺酸钠，总收率在23.2％以上，尤其是水解后增加锌粉还原步骤时收率还可大大提高，总收率可达35～41.5％，精制的2,3‑二巯基丙磺酸钠含量达到99％以上。本发明采用硫代醋酸钾作巯化剂，再在强酸条件下水解，同时成铅后用稀硫酸进行脱铅，整个反应和处理过程中避免使用或生成对环境有影响的剧毒气体硫化氢，改善了工况条件，减少三废排放，提高了生产效率。

  公开号：

  CN109651211B
• 作为试剂：
  描述：

  anti-[2-(3-ethoxythienyl)]di(1-adamantyl)methanol 在 unithiol 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到anti-[2-(3-ethoxythienyl)]di(1-adamantyl)methane
  参考文献：
  名称：

  Lomas, John S.; Vauthier, Edouard; Vaissermann, Jacqueline, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 7, p. 1399 - 1408

  摘要：

  DOI：

文献信息

• [EN] COMPOSITION FOR TIN-SILVER ALLOY ELECTROPLATING COMPRISING A COMPLEXING AGENT<br/>[FR] COMPOSITION POUR L'ÉLECTROGALVANISATION D'ALLIAGE D'ÉTAIN ET D'ARGENT COMPRENANT UN AGENT COMPLEXANT
  申请人：BASF SE

  公开号：WO2019185468A1

  公开（公告）日：2019-10-03

  An aqueous composition comprising (a) metal ions comprising tin ions and silver ions and (b) at least one complexing agent of formula (C1) R1-X1-S-X21[D1-X22-]nS-X3-R2, (C2) R1-X1-S-X31-D2-[X32-S-]nX3-R2, (C3) R3-X1-S-X41-[D3-X42-]nS-X3-R4 wherein X1, X3 are independently selected from a linear or branched C1-C12 alkanediyl, which may be unsubstituted or substituted by OH; X21, X22 are independently selected from X1, which may be further substituted by -X5-COOR12, -X5-SO2-O-R12, a C2 to C6 polyoxyalkylene group of formula -(O-CH2- CHR11)z-OH, or a combination thereof, and -X1-NH-CO-X6-CO-NH-X1-; X31, X32 are independently selected from a chemical bond and X1; X41, X42 are independently selected from X1; X5 is a linear or branched Ci to C10 alkyl; X6 is selected from X1 and a divalent 5 or 6 membered aromatic group; R1, R2 are independently selected from a monovalent 5 or 6 membered aromatic N- heterocyclic group comprising one N atom or two N atoms which are separated by at least one C atom, and its derivatives received by N-alkylation with a C1-C6- alkyl group, which may be substituted by --COOR12 or -SO2-O-R12, and which aromatic N- heterocyclic group may optionally further comprise, under the proviso that X21 is substituted by at least one OH, one S atom; R3, R4 are independently selected from a monovalent 5 or 6 membered aliphatic N- heterocyclic group comprising one N atom and one O atom; D1 is independently selected from S, O and NR10-; D2 is (a) a divalent 5 or 6 membered aliphatic heterocyclic ring system comprising 1 or 2 S atoms, or (b) a 5 or 6 membered aromatic heterocyclic ring system comprising at least two N atoms and optionally one or two S atoms; D3 is independently selected from S and NR10-; n is an integer of from 0 to 5; z is an integer from 1 to 50; R10 is selected from H and a linear or branched C1-C12 alkyl; R11 is selected from H and a linear or branched C1 to C6 alkyl; and R12 is selected from R10 and a cation.

  一种水性组合物，包括（a）包括锡离子和银离子的金属离子和（b）至少一种具有以下结构的络合剂：（C1）R1-X1-S-X21[D1-X22-]nS-X3-R2，（C2）R1-X1-S-X31-D2-[X32-S-]nX3-R2，（C3）R3-X1-S-X41-[D3-X42-]nS-X3-R4，其中X1、X3可独立地选择自线性或支链的C1-C12脂肪二亚基，可以未取代或被OH取代；X21、X22可独立地选择自X1，可以进一步被-X5-COOR12，-X5-SO2-O-R12，具有式-(O-CH2-CHR11)z-OH的C2到C6聚氧烷基，或其组合物取代，以及-X1-NH-CO-X6-CO-NH-X1-；X31、X32可独立地选择自化学键和X1；X41、X42可独立地选择自X1；X5是线性或支链的Ci到C10烷基；X6选择自X1和双价的5或6元芳香族基；R1、R2可独立地选择自包括一个N原子或两个N原子的单价5或6元芳香N-杂环基，通过N-烷基化与C1-C6烷基基团取代的衍生物，可以被--COOR12或-SO2-O-R12取代，该芳香N-杂环基可以选择性地进一步包括，在X21至少被一个OH取代的条件下，一个S原子；R3、R4可独立地选择自包括一个N原子和一个O原子的单价5或6元脂肪N-杂环基；D1可独立地选择自S、O和NR10-；D2是（a）包括1或2个S原子的双价5或6元脂肪杂环环系统，或（b）包括至少两个N原子和可选地一个或两个S原子的5或6元芳香杂环环系统；D3可独立地选择自S和NR10-；n是从0到5的整数；z是从1到50的整数；R10选择自H和线性或支链的C1-C12烷基；R11选择自H和线性或支链的C1到C6烷基；R12选择自R10和阳离子。
• Amphiphilic bis(thiolato)-nickel(II), -palladium(II) and -platinum(II) complexes with diphosphine or phosphinoarsine ligands
  作者：Penelope S. Jarrett、Orla M. Ni Dhubhghaill、Peter J. Sadler

  DOI：10.1039/dt9930001863

  日期：——

  (derived from 1H–1H coupling constants) in mixed-ligand product from these reactions are discussed. The use of these thiolate ligands has enabled solubilisation of several complexes containing dppe or dadpe ligands in aqueous media. The cytotoxicities of dppe and dadpe complexes of Pd and Pt with dimercaptosuccinic acid were investigated.

  新型配合物[M（L–L）（H 2 dmsucc- S，S '）] [M = Ni，Pd或Pt；L–L = 1,2-双（二苯基膦基）乙烷，dppe；M = Pd或Pt，L–L = 1-二苯基ar基-2-二苯基膦基乙烷，dadpe；已制备并表征了H 4 dmsucc =二巯基琥珀酸和[Ni（dppe）（Hmsucc）]（H 3 msucc =巯基琥珀酸）。研究了2,3-二巯基丙烷磺酸钠，1-硫代-β - D-吡喃葡萄糖酸钠和二硫苏糖醇与[M（L-L）X 2 ]（M = Ni，Pd或Pt； X = Cl或Br）的反应通过31 P- 1个H} NMR光谱。的31角P NMR化学位移，31 P-讨论了这些反应的混合配体产物中的31 P和195 Pt– 31 P耦合常数，以及螯合环的构象（源自1 H– 1 H耦合常数）。这些硫醇盐配体的使用使得能够在水性介质中溶解包含dppe或dadpe配体的几种
• Reagents and procedures for high-specificity labeling
  申请人：Rutgers, The State University of New Jersey

  公开号：US20040019104A1

  公开（公告）日：2004-01-29

  A molecule with two pendant phenylarsine moieties according to the general structural Formula (I) and tautomers, acids, and salts thereof: 1 wherein: (i) R 1 or R 2 , are each independently O − , S − , OR 3 or SR 3 with the provision that if either R 1 or R 2 is absent, the other remaining group is ═O or ═S; or R 1 and R 2 , together with the arsenic atom, form a ring according to one of the general structural Formulae (II), (III), (IV), or (V): 2 wherein R 3 is H, CH(OH)CH 2 OH, or (CH 2 ) q —Y, with q being 1-4 and Y being H, OH, NH 2 , SH, COOH, OAc, CONH 2 or CN, and Z represents a hydrocarbon chain comprising 2-4 singly or doubly bonded carbon atoms each of which may be further substituted with one or more of hydrogen, methyl, ethyl, 1-propyl, 2-propyl, methoxy, hydroxy, amino, carboxy, sulfo, oxo, thio, halo (fluoro, chloro, bromo, or fluoro) and (CH 2 ) n″ SO 3 , wherein n″ is 1 or 2; (ii) R 4 , R 5 , R 6 and R 7 are each independently H, F, OR 3 , R 3 , OAc, NH 2 , N(C 1 -C 4 alkyl) 2 , R 1 ; or R 4 with R 5 , or R 6 together with R 7 , or both, form a ring; (iii) R 8 is a linear or branched optionally substituted spacer having a minimum length of approximately 1.5 and a maximum length of approximately 15 Ångstroms; and (iv) X is a detectable group. Methods of using the bis-phenylarsine molecule also are provided.

  根据通用结构式（I）及其互变异构体、酸和盐，具有两个挂链苯基砷基的分子： 其中：（i）R1或R2分别独立为O−、S−、OR3或SR3，但须注意如果R1或R2中有一个不存在，则另一个剩余基团为═O或═S；或者R1和R2与砷原子一起形成一个环，符合通用结构式（II）、（III）、（IV）或（V）之一： 其中R3为H、CH(OH)CH2OH或(CH2)q—Y，其中q为1-4，Y为H、OH、NH2、SH、COOH、OAc、CONH2或CN，Z代表一个含有2-4个单键或双键碳原子的碳氢链，每个碳原子可以进一步被氢、甲基、乙基、1-丙基、2-丙基、甲氧基、羟基、氨基、羧基、磺酰基、羰基、硫基、卤素（氟、氯、溴或氟）和(CH2)n″SO3等取代，其中n″为1或2；（ii）R4、R5、R6和R7各自独立为H、F、OR3、R3、OAc、NH2、N(C1-C4烷基)2或R1；或者R4与R5，或R6与R7，或两者一起形成一个环；（iii）R8为线性或支链的可选取代的间隔物，其最小长度约为1.5，最大长度约为15埃；（iv）X为可检测的基团。还提供了使用双苯基砷分子的方法。
• New fluorinated compounds, their synthesis and use
  申请人：GUARNIFLON S.p.A.

  公开号：EP2343270A3

  公开（公告）日：2011-12-28

  New fluorinated compounds and method for their preparation. These compounds are used particularly but not exclusively as fluorinated surfactants or as solid lubricants to increase the characteristics of slipperiness and oil-hydro-repellence of surfaces that constitute hulls of watercraft and the like and/or their cladding materials, sleighs, chutes, bases of skis and the like. These compounds having the general formula (I) can be used as such or in solution, pure or in a mixture with other similar or different fluorinated compounds.

  新的氟化合物及其制备方法。这些化合物特别但不仅仅用作氟表面活性剂或固体润滑剂，以增加构成水上船舶船体和/或其包覆材料、雪橇、滑道、滑雪板底部等表面的滑动特性和抗油性。这些具有通式（I）的化合物可以单独使用或溶液中使用，纯净的或与其他类似或不同的氟化合物混合使用。
• Photocatalytic hydrogen production from a simple water-soluble [FeFe]-hydrogenase model system
  作者：Wei-Ning Cao、Feng Wang、Hong-Yan Wang、Bin Chen、Ke Feng、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1039/c2cc33097k

  日期：——

  Combined with a simple water soluble [FeFe]-hydrogenase mimic 1, Ru(bpy)32+ and ascorbic acid enable hydrogen production photocatalytically. More than 88 equivalents of H2 were achieved in water, which is much better than that obtained in an organic solvent or a mixture of organic solvent and water.

  Ru(bpy)32+ 和抗坏血酸与简单的水溶性[FeFe]-氢化酶模拟物 1 结合，可通过光催化产生氢气。在水中产生的氢气超过 88 当量，远高于在有机溶剂或有机溶剂与水的混合物中产生的氢气。

表征谱图