(2H3)methyl 3-methyl-4-(methylsulfanyl)phenyl (2H3)methoxy(sulfanylidene)phosphonite

• ChemBase编号: 168931
• 分子式: C10H15O3PS2
• 平均质量: 278.328061
• 单一同位素质量: 278.02002297
• SMILES: c1c(c(ccc1OP(=S)(OC)OC)SC)C
• Canonical SMILES: CSc1ccc(cc1C)OP(=S)(OC)OC
• InChI: InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
• InChIKey: PNVJTZOFSHSLTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)methyl 3-methyl-4-(methylsulfanyl)phenyl (^2H₃)methoxy(sulfanylidene)phosphonite
• IUPAC传统名: (^2H₃)methyl 3-methyl-4-(methylsulfanyl)phenyl (^2H₃)methoxy(sulfanylidene)phosphonite
• 别名: Phosphorothioic Acid O,O-Dimethyl-d6 O-[3-Methyl-4-(methylthio)phenyl]ester; ENT-25540-d6; Baycid-d6; Bayer 29493-d6; Mercaptophos-d6; Fenthion-d6

登记号

• PubChem SID: 162263063
• PubChem CID: 45039252

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.8032448
• LogD (pH = 7.4): 3.8032448
• Log P: 3.8032448
• 摩尔折射率: 73.6674 cm^3
• 极化性: 29.401106 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Ethanol; Ether; Methanol
• 外观: Liquid
• 沸点: 87°C

详细说明

Toronto Research Chemicals - F278002

Labelled Fenthion, an organothiophosphate insecticide. Fenthion is also a potent acaricide.

参考文献

• Pati, B.R. et al.: Plant Soil, 80, 215 (1984)
• Barros, A.T. et al.: Vet. Parasitol., 96, 243 (1984)
• Kyriakidis, N.V. et al.: Food Chem., 91, 241 (1984)