(dimethylcarbamothioyl)sulfanide; dimethylazanium

• ChemBase编号: 109887
• 分子式: C5H14N2S2
• 平均质量: 166.30806
• 单一同位素质量: 166.05984046
• SMILES: C[NH2+]C.CN(C)C(=S)[S-]
• Canonical SMILES: CN(C(=S)[S-])C.C[NH2+]C
• InChI: InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
• InChIKey: UVOFGKIRTCCNKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dimethylcarbamothioyl)sulfanide; dimethylazanium
• IUPAC传统名: (dimethylcarbamothioyl)sulfanide; dimethylazanium
• 别名: DIMETHYLAMMONIUM DIMETHYLDITHIOCARBAMATE

登记号

• CAS号: 598-64-1
• PubChem SID: 162095844
• PubChem CID: 11728

理论计算性质

• Acid pKa: 2.0140626
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.15268822
• LogD (pH = 7.4): 0.1508859
• Log P: 1.2938448
• 摩尔折射率: 36.2607 cm^3
• 极化性: 14.217208 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05212900

MP Biomedicals Rare Chemical collection