吡咯烷-1-硫代甲酰胺 | 40398-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 吡咯烷-1-硫代甲酰胺
• 中文别名: 1-吡咯烷硫代酰胺；吡咯烷-1-硫代酰胺
• 英文名称: pyrrolidine-1-carbothioic acid amide
• 英文别名: pyrrolidine-1-carbothioamide；1-thiocarbamoylpyrrolidine；Pyrrolidinothiocarbonamid；Pyrrolidin-1-thiocarbonsaeure-amid；1-pyrrolidine-carbothioamide；1-pyrrolidinecarbothioamide；pyrrolidine-1-carboximidothioic acid
• CAS: 40398-36-5
• 化学式: C₅H₁₀N₂S
• mdl: MFCD00178436
• 分子量: 130.214
• InChiKey: DJQOGYTZMZEXJN-UHFFFAOYSA-N

物化性质

• 熔点：
  193-197 °C
• 沸点：
  217.4±23.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Pyrrolidine-1-carbothioamide
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: Pyrrolidine-1-carbothioamide
CAS number: 40398-36-5

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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.
Store in closed vessels.
Storage:

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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
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H10N2S
Molecular weight: 130.2

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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：

  吡咯烷-1-硫代甲酰胺 在 盐酸 、 三氯化铁 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 3.0h， 生成 3,6-dichloro-2-(2-piperidinothiazol-5-yl)-5-(2-pyrrolidinothiazol-5-yl)-1,4-benzoquinone
  参考文献：
  名称：

  Synthesis of 2,5-bis(2-aminothiazol-5-yl)-3,6-dichloro-1,4-benzoquinones

  摘要：

  DOI：

  10.1007/bf02297684
• 作为产物：
  描述：

  Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate 在 盐酸 作用下， 生成 吡咯烷-1-硫代甲酰胺
  参考文献：
  名称：

  Yokoyama, Masataka; Ikuma, Toshihiro; Obara, Nobutoshi, Journal of the Chemical Society. Perkin transactions I, 1990, # 12, p. 3243 - 3247

  摘要：

  DOI：

文献信息

• Benzene Sulfonamide Thiazole and Oxazole Compounds
  申请人：Adams Jerry Leroy

  公开号：US20090298815A1

  公开（公告）日：2009-12-03

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑磺胺和噁唑磺胺化合物，含有这些化合物的组合物，以及用作药物制剂的制备方法和使用方法。
• [EN] THIAZOLE AND OXAZOLE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE À BASE DE THIAZOLE ET D'OXAZOLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009076140A1

  公开（公告）日：2009-06-18

  The present invention provides thiazole and oxazole compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑和恶唑化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的应用方法。
• [EN] THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE THIAZOLE SULFONAMIDE ET OXAZOLE SULFONAMIDE KINASES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010104899A1

  公开（公告）日：2010-09-16

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents

  本发明提供了噻唑磺酰胺和恶唑磺酰胺化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的使用方法。
• 一种以2-氨基-5-氯二苯甲酮缩氨基硫脲为配 体的铂配合物及其合成方法和应用
  申请人：广西师范大学

  公开号：CN109694391B

  公开（公告）日：2021-03-23

  本发明公开了一种以2‑氨基‑5‑氯二苯甲酮缩氨基硫脲为配体的铂配合物及其合成方法和应用，所述铂配合物的合成方法为：1）将2‑氨基‑5‑氯二苯甲酮溶于乙醇，再加入氨基硫脲混合均匀后，滴加3‑4滴浓硫酸，回流、过滤，滤液室温挥发，有淡黄色晶体析出，晶体过滤，无水乙醇洗涤2‑3次得化合物；2）取步骤1）得到的化合物和Pt(DMSO)2Cl2置于一端密封的玻璃管中，滴加甲醇至玻璃管中溶解后，真空密封玻璃管，将玻璃管置于60℃鼓风干燥箱中静置72 h，得到目标配合物。该配合物结构新颖，活性大大提高，具有更加优良的抑神经瘤活性，又利于穿透BBB，以及一定程度上克服了药物耐药性。
• [EN] DYNAMIN-1-LIKE PROTEIN INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE DE TYPE DYNAMINE-1
  申请人：MITOBRIDGE INC

  公开号：WO2018200674A1

  公开（公告）日：2018-11-01

  This application is directed to inhibitors of dynamin-l-like protein (Drpl) represented by the following structural formula (I): and methods for their use, such as to treat one or more DRPl-related diseases.

  该申请涉及以下结构公式（I）表示的dynamin-l样蛋白（Drpl）的抑制剂：以及它们的使用方法，例如用于治疗一种或多种与DRPl相关的疾病。