2-氨基-1,3,5-三嗪-4,6-二硫醇 | 2770-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 2-氨基-1,3,5-三嗪-4,6-二硫醇
• 中文别名: 6-阿-1，3，5-三吡啶-2，4-二丁酯
• 英文名称: 2-amino-4,6-mercapto-1,3,5-triazine
• 英文别名: 2-amino-4,6-dithio-1,3,5-triazine；Dithioammelid；6-amino-1H-[1,3,5]triazine-2,4-dithione；6-Amino-1H-[1,3,5]triazin-2,4-dithion；4-amino-1,3,5-triazine-2,6-dithiol；6-amino-1H-1,3,5-triazine-2,4-dithione
• CAS: 2770-75-4
• 化学式: C₃H₄N₄S₂
• mdl: MFCD00047346
• 分子量: 160.224
• InChiKey: QQLZTRHXUSFZOM-UHFFFAOYSA-N

物化性质

• 熔点：
  300 °C
• 沸点：
  267.2±23.0 °C(Predicted)
• 密度：
  1.6815 g/cm3
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2933699090
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	6-Amino-1 3 5-triazine-2 4-dithiol tech Material Safety Data Sheet
Synonym:	Dithioammelid
CAS:	2770-75-4

Section 1 - Chemical Product MSDS Name:6-Amino-1 3 5-triazine-2 4-dithiol tech Material Safety Data Sheet
Synonym:Dithioammelid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2770-75-4	6-Amino-1,3,5-triazine-2,4-dithiol		220-463-4

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2770-75-4: Personal Protective Equipment Eyes: Not available.
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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 360 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: C3H4N4S2
Molecular Weight: 160

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2770-75-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Amino-1,3,5-triazine-2,4-dithiol - Not listed by ACGIH, IARC, or NTP.

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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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2770-75-4: No information available.
Canada
CAS# 2770-75-4 is listed on Canada's NDSL List.
CAS# 2770-75-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2770-75-4 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  sodium molybdate 、 2-氨基-1,3,5-三嗪-4,6-二硫醇 以 水 为溶剂， 反应 48.0h， 以65%的产率得到cis-[Mo₂O₅(AT)₂]
  参考文献：
  名称：

  Synthesis, characterization and anticancer activity of new Zn(II) and MoO22+ complexes of 2-amino-4,6-mercaptotriazine

  摘要：

  The preparation of new complexes containing 2-amino-4,6-mercaptotriazine (HAT) [Zn(AT)(2)(H2O)(2)], [Zn(bpy) (AT)Cl(H2O)], [Zn(PPh3)(2)(AT)Cl(H2O)] and cis-[Mo2O5(AT)(2)] is reported. The structures of these complexes are discussed using IR, NMR, UV-Vis, and EI-mass spectra, elemental analysis, molar conductivity and thermal measurements. HAT coordinates to the central metal ions through the deprotonated cyclic-N(1) and amino-N(2) or mercapto-S(6) atoms (AT(-)) in mononegative bidentate manner. The stoichiometries and the formation constants of Zn(II) complexes in solution were calculated using Job's method. The anticancer activities of some of the complexes were examined against The human breast cancer MDA-MB231 cell line. The IC50 values for cell growth proliferation were ranged from 24.57 +/- 0.2 to 49.89 +/- 0.4 mu M, while that for the standard reference drug, cisplatin, was 8.72 +/- 0.5 mu M.

  DOI：

  10.1016/j.inoche.2019.04.024
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 potassium hydrosulfide 作用下， 生成 2-氨基-1,3,5-三嗪-4,6-二硫醇
  参考文献：
  名称：

  Jamieson, Justus Liebigs Annalen der Chemie, 1846, vol. 59, p. 341

  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。
• Syntheses, characterization and crystal structures of di- and triorganotin (IV) derivatives with 6-amino-1,3,5-triazine-2,4-dithiol
  作者：Chunlin Ma、Yongxin Li、Rufen Zhang、Daqi Wang

  DOI：10.1016/j.jorganchem.2005.11.018

  日期：2006.4

  A series of organotin (IV) complexes with 6-amino-1,3,5-triazine-2,4-dithiol of the type [(RnSnCl4−n)2 (C3H2N4S2)] (n = 3: R = Me 1, n-Bu 2, PhCH23, Ph 4; n = 2: R = Me 5, n-Bu 6, PhCH27, Ph 8) have been synthesized. All the complexes 1–8 have been characterized by elemental analysis, IR, 1H and 13C NMR spectra. Among them complexes 1, 4, 5 and 8 have also been characterized by X-ray crystallography

  一系列有机锡（IV）与[[R n SnCl 4− n）2（C 3 H 2 N 4 S 2）]类型的6-氨基-1,3,5-三嗪-2,4-二硫醇的配合物（n  ＝ 3：R ＝ Me 1，n- Bu 2，PhCH 2 3，Ph 4；n  ＝ 2：R ＝ Me 5，n- Bu 6，PhCH 2 7，Ph 8）已经合成。所有综合大楼1 – 8通过元素分析，IR，1 H和13 C NMR光谱进行表征。其中复合物1，4，5和8也已通过X射线晶体衍射分析，这表明复合体的锡原子1，4，5和8是所有五个配位与失真三角双锥几何形状。
• New Palladium(II), Platinum(II) and Silver(I) complexes of 2-amino-4,6-dithio-1,3,5-triazine; synthesis, characterization and DNA binding properties
  作者：Amany M. Ismail、Shadia A. El Sayed、Ian S. Butler、Sahar I. Mostafa

  DOI：10.1016/j.molstruc.2019.127088

  日期：2020.1

  anticancer activity of transition metal complexes, especially those based on the Pt(II) ion. Since the 1,3,5-triazine molecule has significant biological activity, we thought that the development of new metallo-chemotherapeutic agents involving the triazine moiety might be of interest. With this in mind, we have now synthesized several mixed-ligand transition metal complexes with the 2-amino-4,6-dithio-1

  摘要 多年来，无机药物化学一直致力于研究过渡金属配合物的抗癌活性，尤其是那些基于 Pt(II) 离子的配合物。由于 1,3,5-三嗪分子具有显着的生物活性，我们认为开发涉及三嗪部分的新型金属化学治疗剂可能会引起人们的兴趣。考虑到这一点，我们现在合成了几种混合配体过渡金属配合物，其中含有 2-amino-4,6-dithio-1,3,5-triazine (Hat) 配体，其中还含有 2,2'bipyridine (bpy) , 1,10-菲咯啉 (phen) 或三苯基膦 (PPh3) 作为辅助配体。在各种光谱 [IR、NMR（1H、13C、31P）、UV-vis 和 EI-mass] 测量和其他物理分析（摩尔电导率、元素分析和 TGA）的基础上，为 Hat 配体提出了两种配位模式。第一种是通过氨基-N(2) 和环-N(3) 原子或硫酮-S(4) 和环-N(3) 原子的中性双齿模式。第二种模式是通过去质子化的环状-N(1)
• Diels, Chemische Berichte, 1899, vol. 32, p. 700
  作者：Diels

  DOI：——

  日期：——
• Klason, Journal fur praktische Chemie (Leipzig 1954), 1886, vol. <2>33, p. 293
  作者：Klason

  DOI：——

  日期：——