基本信息
- 标准SMILES
CCOP(=S)(OCC)Oc1ccc(N)cc1- InChIKey
XIZOTXGJXSTQDI-UHFFFAOYSA-N- 分子式
- C10H16NO3PS
- 平均分子量
- 261.28 g/mol
- 单同位素质量
- 261.058851
概述
Aminoparathion is an organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite and an environmental contaminant. It is an organothiophosphate insecticide, an organic thiophosphate and a substituted aniline. It is functionally related to a 4-aminophenol and a parathion.
名称与标识
- 首选名称
- Aminoparathion
- IUPAC
- 4-diethoxyphosphinothioyloxyaniline
- 中文名
- 4-二乙氧基硫代膦酰氧基苯胺
- 英文名
- 4-diethoxyphosphinothioyloxyaniline
- 分子式
- C10H16NO3PS
- 分子量
- 261.28
名称与别名
Aminoparathion3735-01-14-diethoxyphosphinothioyloxyanilinep-AminoparathionO-(4-AMINOPHENYL) O,O-DIETHYL PHOSPHOROTHIOATEamino-parathionE 605 reducedPhosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester4-aminoparathionXW8MK6B4E6O,O-Diethyl O-(4-aminophenyl) phosphorothioateCHEBI:28055
展开更多名称
4-二乙氧基硫代膦酰氧基苯胺Thiophosphoric acid O-(4-aminophenyl)O,O-diethyl ester
DTXSID001907934-aminophenyl ethyl ethoxy(sulfanylidene)phosphoniteRefChem:112058DTXCID40113284thiophosphoric acid diethyl 4-aminophenyl esterE-605 reducedparathion aminoBRN 5543468
数据库标识
- CAS
3735-01-1- PubChem CID
- 220
- DTXSID
DTXSID00190793- ChEBI
CHEBI:28055- UNII
- XW8MK6B4E6
- Nikkaji
- J124.965G
性质
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 85.8 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 234
实验与物化性质
LogP
2.60
2.6
Solubility0.39 mg/mL
Physical DescriptionSolid
物理化学性质
- 熔点
- 147 · 147-149 °C
- 沸点
- 346.2 · 346.2±44.0 °C(Predicted)
- 密度
- 1.1577 g/cm3 · 1.1577 g/cm3
- 酸度系数(pKa)
- 3.85 · 3.85±0.10(Predicted)
化学与工业
药理信息
Cellular LocationsMembrane
供应商3 家
维赛诺化学技术（北京）有限公司13811761079 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
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