5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride

• ChemBase编号: 275007
• 分子式: C8H12ClNO4S3
• 平均质量: 317.83318
• 单一同位素质量: 316.96169855
• SMILES: S(=O)(=O)(c1sc(S(=O)(=O)Cl)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(s1)S(=O)(=O)Cl)CC
• InChI: InChI=1S/C8H12ClNO4S3/c1-3-10(4-2)17(13,14)8-6-5-7(15-8)16(9,11)12/h5-6H,3-4H2,1-2H3
• InChIKey: ZTWOJKSICOOLKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride
• IUPAC传统名: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride
• 别名: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride

登记号

• MDL号: MFCD18839053
• PubChem SID: 164330917
• PubChem CID: 54593465

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7989815
• LogD (pH = 7.4): 1.7989815
• Log P: 1.7989815
• 摩尔折射率: 67.1263 cm^3
• 极化性: 27.97474 Å^3
• 极化表面积: 71.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.144

产品相关信息

• 纯度: 95%