potassium [(1,1-dioxo-1λ6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide

• ChemBase编号: 121585
• 分子式: C6H10KNO2S3
• 平均质量: 263.4424
• 单一同位素质量: 262.95107325
• SMILES: S1(=O)(=O)CC(N(C(=S)[S-])C)CC1.[K+]
• Canonical SMILES: [S-]C(=S)N(C1CCS(=O)(=O)C1)C.[K+]
• InChI: InChI=1S/C6H11NO2S3.K/c1-7(6(10)11)5-2-3-12(8,9)4-5;/h5H,2-4H2,1H3,(H,10,11);/q;+1/p-1
• InChIKey: REMALOBYKCHEPV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium [(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide
• IUPAC传统名: potassium [(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide
• 别名: potassium (1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamodithioate

登记号

• PubChem SID: 162215938
• PubChem CID: 23667428

理论计算性质

• Acid pKa: 1.9971354
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.0672978
• LogD (pH = 7.4): -1.0690314
• Log P: 0.07392844
• 摩尔折射率: 56.8117 cm^3
• 极化性: 23.17186 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: K+