1,4-diethyl 2-{[bis(2H3)methoxy(sulfanylidene)-λ5-phosphanyl]sulfanyl}butanedioate

• ChemBase编号: 172474
• 分子式: C10H19O6PS2
• 平均质量: 330.358021
• 单一同位素质量: 330.03606696
• SMILES: P(=S)(SC(C(=O)OCC)CC(=O)OCC)(OC)OC
• Canonical SMILES: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
• InChI: InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
• InChIKey: JXSJBGJIGXNWCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-diethyl 2-{[bis(^2H₃)methoxy(sulfanylidene)-λ^5-phosphanyl]sulfanyl}butanedioate
• IUPAC传统名: 1,4-diethyl 2-{[bis(^2H₃)methoxy(sulfanylidene)-λ^5-phosphanyl]sulfanyl}butanedioate
• 别名: [(Dimethoxy-d6-phosphinothioyl)thio]butanedioic Acid Diethyl Ester; Carbofos-d6; Malathon-d6; Mercaptothion-d6; Phosphothion-d6; Cythion-d6; Malathion-d6

登记号

• PubChem SID: 164228384
• PubChem CID: 45039675

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8572832
• LogD (pH = 7.4): 1.8572832
• Log P: 1.8572832
• 摩尔折射率: 78.1823 cm^3
• 极化性: 31.966846 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Slightly Soluble in Water
• 外观: Clear Colorless oil
• 沸点: 156-157°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - M111002

Used as an insecticide.