3-methyl-3-[(3-methylpentan-3-yl)disulfanyl]pentane

• ChemBase编号: 107507
• 分子式: C12H26S2
• 平均质量: 234.46484
• 单一同位素质量: 234.14759283
• SMILES: CCC(C)(CC)SSC(C)(CC)CC
• Canonical SMILES: CCC(SSC(CC)(CC)C)(CC)C
• InChI: InChI=1S/C12H26S2/c1-7-11(5,8-2)13-14-12(6,9-3)10-4/h7-10H2,1-6H3
• InChIKey: TXQFWCYFQDWNSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-3-[(3-methylpentan-3-yl)disulfanyl]pentane
• IUPAC传统名: 3-methyl-3-[(3-methylpentan-3-yl)disulfanyl]pentane
• 别名: DI-tert-HEXYL DISULFIDE

登记号

• PubChem SID: 162106082
• PubChem CID: 24884333

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.393319
• LogD (pH = 7.4): 5.393319
• Log P: 5.393319
• 摩尔折射率: 72.6876 cm^3
• 极化性: 29.042034 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05204009

MP Biomedicals Rare Chemical collection