Phosphorothioic acid, O-(3-chlorophenyl) O,O-dimethyl ester
Basic information
- CAS
14529-39-6- Standard SMILES
COP(=S)(OC)Oc1cccc(Cl)c1- InChIKey
HWMCVBFWRXKEON-UHFFFAOYSA-N- Molecular formula
- C8H10ClO3PS
- Average molar mass
- 252.66 g/mol
- Monoisotopic mass
- 251.97768
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(3-chlorophenyl) O,O-dimethyl ester
- IUPAC
- (3-chlorophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
DCHFT14529-39-6O-(3-Chlorophenyl) O,O-dimethyl phosphorothioatePhosphorothioic acid, O-(3-chlorophenyl) O,O-dimethyl esterDTXSID10162966
Database identifiers
- CAS
14529-39-6- PubChem CID
- 3084201
- DTXSID
DTXSID10162966- Nikkaji
- J361.466B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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