Crotonic acid, 3-mercapto-, methyl ester, S-ester with O,O-dimethyl phosphorothioate, (Z)-
Basic information
- CAS
19750-75-5- Standard SMILES
COC(=O)/C=C(/C)SP(=O)(OC)OC- InChIKey
FRBSTRMGLJPLFC-WAYWQWQTSA-N- Molecular formula
- C7H13O5PS
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.02213168
Names & identifiers
- Preferred name
- Crotonic acid, 3-mercapto-, methyl ester, S-ester with O,O-dimethyl phosphorothioate, (Z)-
- IUPAC
- methyl (Z)-3-dimethoxyphosphorylsulfanylbut-2-enoate
Names & synonyms
Crotonic acid, 3-mercapto-, methyl ester, S-ester with O,O-dimethyl phosphorothioate, (Z)-19750-75-5RefChem:1082299cis-ThionophosdrinBRN 2372392
Database identifiers
- CAS
19750-75-5- PubChem CID
- 6433741
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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