tris[(2H9)butylsulfanyl]phosphane

• ChemBase编号: 172790
• 分子式: C12H27PS3
• 平均质量: 298.511541
• 单一同位素质量: 298.10125049
• SMILES: P(SCCCC)(SCCCC)SCCCC
• Canonical SMILES: CCCCSP(SCCCC)SCCCC
• InChI: InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
• InChIKey: KLAPGAOQRZTCBI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris[(^2H₉)butylsulfanyl]phosphane
• IUPAC传统名: tris[(^2H₉)butylsulfanyl]phosphane
• 别名: Phosphorotrithious Acid Tributyl-d27 Ester; Tris(butylthio)phosphine-d27; Tributyl Phosphorotrithioite-d27; NSC 27720-d27; Merphos-d27

登记号

• PubChem SID: 164228700
• PubChem CID: 46782133

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.769198
• LogD (pH = 7.4): 5.7692
• Log P: 5.7692
• 摩尔折射率: 89.0942 cm^3
• 极化性: 34.780235 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - M257702

Labelled organophosphate pesticide used in the agriculture industry.

参考文献

• Abou-Donia, M., et al.: Toxicol. App. Pharmacol., 53, 439 (1980)
• Francis B., et al.: Neurotoxicol., 4, 139 (1980)