2-(乙胺基)-1,3,4-噻二唑 | 13275-68-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(乙胺基)-1,3,4-噻二唑
• 中文别名: 2-(乙氨基)-1,3,4-噻重氮
• 英文名称: 2-ethylamino-1,3,4-thiadiazole
• 英文别名: 2-Ethylamino-1,3,4-thiadiazol；N-Ethyl-1,3,4-thiadiazol-2-amine
• CAS: 13275-68-8
• 化学式: C₄H₇N₃S
• 分子量: 129.186
• InChiKey: PINNQKFNRKECFX-UHFFFAOYSA-N

物化性质

• 熔点：
  71.5°C
• 沸点：
  205.2±23.0 °C(Predicted)
• 密度：
  1.220 (estimate)
• 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)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 储存条件：
  存放在阴凉干燥处。

SDS

Name:	2-(Ethylamino)-1 3 4-Thiadiazole Material Safety Data Sheet
Synonym:	None
CAS:	13275-68-8

Section 1 - Chemical Product MSDS Name:2-(Ethylamino)-1 3 4-Thiadiazole Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13275-68-8	1,3,4-Thiadiazol-2-Amine, N-Ethyl-	ca 100	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13275-68-8: 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 to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 71.00 - 73.00 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: C4H7N3S
Molecular Weight: 129.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13275-68-8: XI3900000 LD50/LC50:
Not available.
Carcinogenicity:
1,3,4-Thiadiazol-2-Amine, N-Ethyl- - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 13275-68-8: No information available.
Canada
CAS# 13275-68-8 is listed on Canada's NDSL List.
CAS# 13275-68-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13275-68-8 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：

  2-(乙胺基)-1,3,4-噻二唑 在 氘代甲醇-d 作用下， 生成
  参考文献：
  名称：

  Zinc(II), cadmium(II) and mercury(II) complexes with 2-amino-1,3,4-thiadiazole and 2-ethylamino-1,3,4-thiadiazole

  摘要：

  DOI：

  10.1016/0584-8539(82)80193-1
• 作为产物：
  描述：

  4-乙基-3-硫代氨基脲 、 原甲酸三乙酯 生成 2-(乙胺基)-1,3,4-噻二唑
  参考文献：
  名称：

  Reactions of Orthoesters with Ureas. II

  摘要：

  DOI：

  10.1021/ja01627a029

文献信息

• Mesoionic Purinone Analogs IV: Synthesis and In Vitro Antibacterial Properties of Mesoionic Thiazolo[3,2-a]pyrimidin-5,7-diones and Mesoionic 1,3,4-Thiadiazolo[3,2-a]pyrimidin-5,7-diones
  作者：R.A. Coburn、R.A. Glennon

  DOI：10.1002/jps.2600621110

  日期：1973.11

  Derivatives of two members of a new and unusual class of heterocycles, termed mesoionic purinone analogs, were synthesized and examined for in vitro antibacterial activity. Mesoionic thiazolo[3,2-a]pyrimidin-5,7-diones and mesoionic 1,3,4-thiadiazolo[3,2-a]pyrimidin-5,7-diones, which are isoconjugate with xanthine, were found to exhibit antibacterial activity against both Gram-negative and Gram-positive

  合成了新的和异常的一类杂环的两个成员的衍生物，称为中离子嘌呤酮类似物，并检查了其体外抗菌活性。发现与黄嘌呤同缀合物的中离子噻唑并[3,2-a]嘧啶-5,7-二酮和中离子1,3,4-噻二唑并[3,2-a]嘧啶-5,7-二酮与黄嘌呤同构。对革兰氏阴性和革兰氏阳性生物均具有抗菌活性。几个中离子的1,3,4-噻二唑并[3,2-a]嘧啶-5,7-二酮对寻常变形杆菌和金黄色葡萄球菌具有显着水平的活性。
• Mesoionic isoxazolo[2,3-<i>a</i>]pyrimidinediones and 1,3,4-oxadiazolo[3,2-<i>a</i>]pyrimidinediones as potential adenosine antagonists
  作者：Ihsan A. Shehata、Richard A. Glennon

  DOI：10.1002/jhet.5570240511

  日期：1987.9

  Several derivatives of two novel mesoionic ring systems, i.e., isoxazolo[2,3-a]pyrimidinedione and 1,3,4-oxadiazolo[3,2-a]pyrimidinedione, were prepared for evaluation as adenosine antagonists. Whereas both ring systems are relatively stable when the 6-position (i.e., that position corresponding to the purine 1-position) is substituted by an alkyl group, neither ring system is stable when this position

  制备了两种新颖的介电环系统的几种衍生物，即异恶唑并[2,3- a ]嘧啶二酮和1,3,4-恶二唑并[3,2- a ]嘧啶二酮，作为腺苷拮抗剂进行评价。当6-位（即对应于嘌呤1-位的那个位置）被烷基取代时，两个环系统都相对稳定，而当该位置未被取代时，两个环系统都不是稳定的。6-未取代的非内消旋异恶唑并嘧啶二酮的实例表现出相似的行为。作为腺苷拮抗剂，发现中离子化合物的效力不及之前评估的中离子噻二唑[3,2- a ]嘧啶二酮类似物。
• Mesoionic xanthine analogs: phosphodiesterase inhibitory and hypotensive activity
  作者：Richard A. Glennon、Michael E. Rogers、J. Doyle Smith、M. K. El-Said、John L. Egle

  DOI：10.1021/jm00138a002

  日期：1981.6

  Several mesoionic thiazolo[3,2-alphapyrimidines and mesoionic 1,3,4-thiadiazol[3,2-alpha-pyrimidines were evaluated as inhibitors of cyclic-AMP phosphodiesterase. While small alkyl substituents at the 6 position have no significant effect on activity, phenyl and benzyl substituents enhance activity. Mesoionic structures such as 1 (R2 = H; R8 = Et) possess 20 to 40 times the activity of theophylline

  评价了几种中离子噻唑并[3,2-α-嘧啶和中离子1,3,4-噻二唑[3,2-α-嘧啶]作为环AMP磷酸二酯酶的抑制剂。尽管在6位的小的烷基取代基对活性没有显着影响，但是苯基和苄基取代基增强了活性。当R6取代基为苯基或4-氯苄基时，介电结构如1（R2 = H； R8 = Et）的活性为茶碱的20至40倍。在2位上的甲基和乙基取代基本上消除了活性。尽管受到溶解性问题的困扰，但是发现一些中离子衍生物在体内显示出弱的降压作用。
• Solution-phase parallel synthesis of substituted 1,2-ethyl and 1,3-propyl diamines
  作者：Ido D. Dagan、Christopher T. Lowden

  DOI：10.1016/j.tetlet.2003.08.067

  日期：2003.10

  A solution-phase synthesis for the preparation of substituted 1,2-ethyl and 1,3-propyl diamines has been developed for the purpose of producing diverse lead generation libraries with a minimal scaffold. Crude products were obtained in high purity and further purified through mass guided preparative HPLC.

  已经开发了用于制备取代的1,2-乙基和1,3-丙基二胺的溶液相合成法，目的是用最少的支架生产各种铅生成库。获得高纯度的粗产物，并通过质量指导的制备型HPLC进一步纯化。
• Mesoionic purinone analogs as inhibitors of cyclic-AMP phosphodiesterase: comparison of several ring systems
  作者：Michael E. Rogers、Richard A. Glennon、J. Doyle Smith、Marvin R. Boots、Nitin Nanavati、Julie E. Maconaughey、Debbie Aub、Sheree Thomas、R. G. Bass、Godwin Mbagwu

  DOI：10.1021/jm00143a004

  日期：1981.11

  hydrophobic substituent at the N8 position. The five-membered ring of 1 can be replaced by a pyridine or isoquinoline nucleus without untoward effects. Preliminary kinetic data suggest that the type of enzyme inhibition produced by the mesoionic derivatives is similar to that observed for theophylline. Thus, several novel mesoionic ring systems display activity as inhibitors of cyclic-AMP PDE and can serve

  发现介电的噻唑并嘧啶（1）和介电的1,3,4-噻二唑并嘧啶（2）的几种简单的烷基和芳烷基衍生物具有类似茶碱的活性，可作为环AMP磷酸二酯酶（PDE）的抑制剂。1的C 2 -C 3双键的还原或用N-甲基取代1或2的硫原子几乎消除了活性。最佳活性似乎与N8位的疏水取代基有关。1的五元环可以被吡啶或异喹啉核取代，而不会产生不利影响。初步的动力学数据表明，由中离子衍生物产生的酶抑制作用类型与茶碱类似。从而，