[hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide

• ChemBase编号: 81419
• 分子式: C3H10IN3S
• 平均质量: 247.10107
• 单一同位素质量: 246.96401634
• SMILES: [NH+](=C(\NN)/SC)/C.[I-]
• Canonical SMILES: CS/C(=[NH+]\C)/NN.[I-]
• InChI: InChI=1S/C3H9N3S.HI/c1-5-3(6-4)7-2;/h4H2,1-2H3,(H,5,6);1H
• InChIKey: IHGDOMRJTRWAAU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide
• IUPAC传统名: [hydrazinyl(methylsulfanyl)methylidene](methyl)azanium iodide
• 别名: [hydrazino(methylthio)methylidene](methyl)ammonium iodide

登记号

• MDL号: MFCD01114609
• PubChem SID: 162068538
• PubChem CID: 2777302

理论计算性质

• 质子受体: 2
• 质子供体: 3
• LogD (pH = 5.5): -1.9357837
• LogD (pH = 7.4): -0.79429126
• Log P: 0.4054942
• 摩尔折射率: 55.6529 cm^3
• 极化性: 12.939009 Å^3
• 极化表面积: 52.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true