2,5-二氨基-1,3,4-噻二唑 | 2937-81-7

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2,5-二氨基-1,3,4-噻二唑
• 中文别名: (5-氨基-1,3,4-噻二唑-2-基)胺；1,3,4-噻二唑,2,5-二氨基-；1,3,4-噻二唑-2,5-二胺
• 英文名称: 2,5-diamino-1,3,4-thiadiazole
• 英文别名: 2,5-diamino-1,3,4-thiadiazol；1,3,4-thiadiazole-2,5-diamine
• CAS: 2937-81-7
• 化学式: C₂H₄N₄S
• mdl: MFCD00043511
• 分子量: 116.147
• InChiKey: DXVLLEIKCNQUQH-UHFFFAOYSA-N

物化性质

• 熔点：
  210 °C
• 沸点：
  349.2±25.0 °C(Predicted)
• 密度：
  1.661±0.06 g/cm3(Predicted)
• 最大波长(λmax)：
  248nm(H2O)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  7
• 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：
  106
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,5-Diamino-1,3,4-thiadiazole
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2,5-Diamino-1,3,4-thiadiazole
CAS number: 2937-81-7

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C2H4N4S
Molecular weight: 116.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,5-二氨基-1,3,4-噻二唑 在 copper(ll) bromide 、 亚硝酸异戊酯 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 2,5-二溴-1,3,4-噻二唑
  参考文献：
  名称：

  [EN] BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS
  [FR] DÉRIVÉS D'ALCANE AZABICYCLIQUE À SUBSTITUTION BIARYLE EN TANT QUE MODULATEURS DE L'ACTIVITÉ DU RÉCEPTEUR NICOTINIQUE DE L'ACÉTYLCHOLINE

  摘要：

  这项发明涉及取代的双芳基氮杂环戊烷衍生物，包括这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。

  公开号：

  WO2009067579A1
• 作为产物：
  描述：

  2,5-二硫代联二脲 在 双氧水 作用下， 以 水 为溶剂， 反应 1.0h， 生成 2,5-二氨基-1,3,4-噻二唑
  参考文献：
  名称：

  2,5-二氨基-噻二唑/ N，N'-硫代碳酰肼的新型双衍生物的简便合成及其生物学前景

  摘要：

  通过绿色方法（声化学和微波）合成了一系列新的2,5-噻二唑和N，N'-硫代碳酰肼的新双衍生物及其过渡金属配合物，即，能源和时间效率高，操作比现有常规方法更简单。所有合成的化合物均通过常规分析技术充分表征，并进行了初步的生物学筛选。对这些新颖的表征化合物进行了抗菌活性筛选，并显示出令人鼓舞的结果。还测试了一些有效的化合物对MDA-MB231（人乳腺癌细胞系）的抗肿瘤活性，化合物5以潜在的抗肿瘤化合物的形式出现，其次是化合物2、10和9，IC 50值分别为29.48、32.25、32.34和34.34μg/ ml。为了了解这些化合物的结合相互作用，使用AUTODOCK 4.2套件进行了计算机研究，发现该结果支持实验结果。

  DOI：

  10.1007/s11164-018-3554-2
• 作为试剂：
  描述：

  甲醇 、 dysprosium(III) chloride hexahydrate 、 邻香草醛 在 2,5-二氨基-1,3,4-噻二唑 、 三乙胺 作用下， 以65.78 %的产率得到
  参考文献：
  名称：

  巨型高核镧系氧簇的阴离子操纵水解过程组装

  摘要：

  人们普遍关注具有特殊形状和/或特定连接的高成核镧系元素簇的合成。通过仔细调节镧系金属离子的水解和由此产生的水解产物，可以构建具有特定形状和/或连接的镧系元素簇。然而，关于操纵镧系元素离子水解以获得巨大的镧系元素-氧簇的研究很少。在这项研究中，我们通过使用阴离子 (OAc – )控制 Dy(III) 离子的水解，获得了四二十碳镧系元素簇 ( 3 )。据我们所知，簇3在报告的所有镧系元素-氧簇中具有最高的成核。3 、两个三角形的Dy 3 O4个方向相反的Dy 6 (OH) 8中心连接轴又与六个方向不同的Dy 3 O 4相连。同时，在混合的 CH 3 OH 和 CH 3 CN 溶剂中，通过将反应中的阴离子替换为 Cl -离子，获得了手性三核镝簇 ( 1 )的样品。在该簇中，1,3,4-噻二唑-2,5-二胺 (L 2 ) 通过 π···π 相互作用在一侧游离，并平行于邻香兰素 (L 1 ) -配体，从而导致三角形排列。L

  DOI：

  10.1021/acs.inorgchem.2c03924

文献信息

• Inhibitors of bacterial biofilms and related methods
  申请人：Sequoia Sciences, Inc.

  公开号：US08324264B1

  公开（公告）日：2012-12-04

  Certain multi-cyclic compounds and compositions thereof are useful for reducing or inhibiting the growth of bacterial biofilms and for controlling bacterial biofilm infections. Such compounds and compositions are also useful in methods for reducing or inhibiting the growth of biofilms and for controlling bacterial biofilm infections involving biofilms.

  某些多环化合物及其组合物对于减少或抑制细菌生物膜的生长以及控制细菌生物膜感染是有用的。这样的化合物和组合物在减少或抑制生物膜生长的方法以及控制涉及生物膜的细菌生物膜感染中也是有用的。
• Novel inhibitors of bacterial biofilms and related methods
  申请人：Sequoia Sciences, Inc.

  公开号：EP2712863A1

  公开（公告）日：2014-04-02

  Multi-cyclic compounds of chemical structure represented by formula given below and compositions thereof are useful for reducing or inhibiting the growth of bacterial biofilms and for controlling bacterial biofilm infections. Such compounds and compositions are also useful in methods for reducing or inhibiting the growth of biofilms and for controlling bacterial biofilm infections involving biofilms.

  多环化合物，其化学结构由下述公式表示，以及包含它们的组合物，对于减少或抑制细菌生物膜的生长以及控制细菌生物膜感染是有用的。这样的化合物和组合物在减少或抑制生物膜生长的方法以及控制涉及生物膜的细菌生物膜感染中也同样有用。
• Novel nitrofuran compounds and pharmaceutical compositions
  申请人：Boehringer Mannheim G.m.b.H.

  公开号：US03957766A1

  公开（公告）日：1976-05-18

  Certain novel nitrofuran compounds of the formula: ##SPC1## Wherein Het is an aromatic heterocylic linkage; B is a bond or vinylene; Y is O or S; m is 0 or 1; X is hydrogen, lower alkyl or alkanoyl; and The R's are variously defined; Are outstandingly effective bacteriostats and bactericides.

  某些新型的硝基呋喃化合物，其公式为：##SPC1## 其中Het是芳香杂环连接；B是键或亚乙烯；Y是O或S；m是0或1；X是氢、低级烷基或烷酰基；而R有不同的定义；是卓越的抑菌剂和杀菌剂。
• Reaction of Thioxanthylium Cation with Pharmacophoric Heterocyclic Amines
  作者：L. P. Yunnikova、V. V. Esenbaeva、E. A. Danilova、M. K. Islyaikin

  DOI：10.1134/s1070428019120327

  日期：2019.12

  Reactions of thioxanthylium tetrafluoroborate with pharmacophoric heterocyclic amines, pyrimidin-2-amine, 4,6-dimethylpyrimidin-2-amine, 2-aminopyrimidine-4,6-diol, and 1,3,4-thiadiazole-2,5-diamine, gave stable products of electrophilic substitution of one hydrogen atom per amino group. The product structure was confirmed by 1H NMR and mass spectra and X-ray analysis of N-(9H-tmoxanthen-9-yl)pyrimidin-2-amine

  硫代氧杂蒽鎓四氟硼酸盐与药效杂环胺，嘧啶-2-胺，4,6-二甲基嘧啶-2-胺，2-氨基嘧啶-4,6-二醇和1,3,4-噻二唑-2,5-二胺的反应，给出每个氨基一个氢原子的亲电子取代的稳定产物。产物结构通过1 H NMR和质谱以及N-（9 H-三氧杂蒽-9-基）嘧啶-2-胺的X射线分析证实。
• Macroheterocyclic Compounds with p-Diamines of the Diaryl Series
  作者：G. R. Berezina、Yu. G. Vorob’ev、S. M. Vorob’eva、M. V. Sadova

  DOI：10.1007/s11176-005-0352-5

  日期：2005.6

  The reactions of indane-1,3-dione with 4,4′-diaminodiphenyl sulfone, 4,4′-diaminodiphenyl sulfide, and 4,4′-diaminodiphenyl ether were used to synthesize symmetrical macroheterocyclic compounds.

  茚满1,3-二酮与4,4'-二氨基二苯砜，4,4'-二氨基二苯硫醚和4,4'-二氨基二苯醚的反应被用于合成对称的大杂环化合物。