2088-72-4 ((Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester)

CAS号:
2088-72-4
英文名称:
Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester
分子式:
C6H13O5PS
分子量:
228.20318198204

Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester(2088-72-4)名称与标识符

名称

英文别名:
Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester;Acetic acid, ((dimethoxyphosphinyl)thio)-, ethyl ester (9CI);ethyl 2-dimethoxyphosphorylsulfanylacetate;Aceticacid, [(dimethoxyphosphinyl)thio]-, ethyl ester (9CI);Acetic acid, mercapto-,ethyl ester, S-ester with O,O-dimethyl phosphorothioate (7CI,8CI);Acetic acid,mercapto-, ethyl ester, ester with O,O-dimethyl phosphorothioate (6CI);Phosphorothioic acid, O,O-dimethyl ester, S-ester with ethyl mercaptoacetate;Methyl acetoxon;Methylacetophos;O,O-Dimethyl S-(carbethoxy)methylphosphorothiolate;O,O-Dimethyl S-ethoxycarbonylmethyl phosphorothioate;UNII-W97JUH3UIL;2088-72-4;AI3-27527;BRN 1911892;Acetic acid, mercapto-, ethyl ester, S-ester with O,O-dimethyl phosphorothioate;DTXSID5058016;Methylacetaphos;Q27292493;Methyl acetophos;S-(ETHOXYCARBONYLMETHYL) O,O-DIMETHYL PHOSPHOROTHIOATE;Ethyl ((dimethoxyphosphinyl)thio)acetate;O,O-Dimethyl S-carboethoxymethyl thiophosphate;SCHEMBL1884475;O,O-Dimethyl S-(carbethoxy)methyl phosphorothiolate;W97JUH3UIL;Acetic acid, ((dimethoxyphosphinyl)thio)-, ethyl ester;ETHYL 2-((DIMETHOXYPHOSPHINYL)THIO)ACETATE;

标识符

InChIKey:
LIXQYRZDAFGLSQ-UHFFFAOYSA-N
Inchi:
1S/C6H13O5PS/c1-4-11-6(7)5-13-12(8,9-2)10-3/h4-5H2,1-3H3
SMILES:
S(CC(=O)OCC)P(=O)(OC)OC

Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester(2088-72-4)物化性质

实验特性

  • PSA : 61.83

计算特性

  • 精确分子量 : 228.02219
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 228.02213168g/mol
  • 重原子数量 : 13
  • 复杂度 : 199
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.2
  • 拓扑分子极性表面积 : 87.1Ų

Acetic acid,2-[(dimethoxyphosphinyl)thio]-, ethyl ester(2088-72-4)安全信息