thiolan-2-imine

• ChemBase编号: 171571
• 分子式: C4H7NS
• 平均质量: 101.17008
• 单一同位素质量: 101.02992023
• SMILES: C1CC(=N)SC1
• Canonical SMILES: N=C1CCCS1
• InChI: InChI=1S/C4H7NS/c5-4-2-1-3-6-4/h5H,1-3H2
• InChIKey: CNHYKKNIIGEXAY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: thiolan-2-imine
• IUPAC传统名: thiolan-2-imine
• 别名: Traut’s Reagent; 2-Iminothiolane, Hydrochloride

登记号

• CAS号: 4781-83-3
• PubChem SID: 164227481
• PubChem CID: 433941

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.5209763
• LogD (pH = 7.4): 0.21711786
• Log P: 0.81306434
• 摩尔折射率: 39.125 cm^3
• 极化性: 11.178188 Å^3
• 极化表面积: 23.85 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 190-195°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - I450000

A valuable tool in studies of cellular organelles and oligomeric enzymes, using the techniques of protein-protein cross-linking. It may also be used to introduce reactive sulfhydryl groups into proteins for subsequent reaction with alkylating agents or

参考文献

• Perham, R.N. & Thomas, J.O.: J. Mol. Biol., 62, 415 (1971)
• Jue, R., et al: Biochemistry, 17, 5399 (1978)