bis(2H3)methyl [({6-chloro-2-oxo-2H,3H-[1,3]oxazolo[4,5-b]pyridin-3-yl}methyl)sulfanyl]phosphonate

• ChemBase编号: 160939
• 分子式: C9H10ClN2O5PS
• 平均质量: 324.677861
• 单一同位素质量: 323.97365674
• SMILES: c1c(cc2c(n1)n(c(=O)o2)CSP(=O)(OC)OC)Cl
• Canonical SMILES: COP(=O)(SCn1c(=O)oc2c1ncc(c2)Cl)OC
• InChI: InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
• InChIKey: VNKBTWQZTQIWDV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(^2H₃)methyl [({6-chloro-2-oxo-2H,3H-[1,3]oxazolo[4,5-b]pyridin-3-yl}methyl)sulfanyl]phosphonate
• IUPAC传统名: bis(^2H₃)methyl ({6-chloro-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl}methyl)sulfanylphosphonate
• 别名: S-[(6-Chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-Dimethyl-d6 Ester Phosphorothioic Acid; Azametiphos-d6; CGA 18809-d6; Ciba-Geigy 18809-d6; Salmosan-d6; Snip-d6; Azamethiphos-d6

登记号

• CAS号: 1189894-02-7
• PubChem SID: 162255074
• PubChem CID: 46780506

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5187624
• LogD (pH = 7.4): 1.5187625
• Log P: 1.5187625
• 摩尔折射率: 69.9109 cm^3
• 极化性: 27.934067 Å^3
• 极化表面积: 77.96 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

• 外观: Off-White Crystalline Powder
• 熔点: 92-93°C

详细说明

Toronto Research Chemicals - A801302

Synergistic insecticidal and acaricidal organophosphorus compound.