Basic information
- CAS
90965-41-6- Standard SMILES
CCOP(=O)(O)Sc1ccc(Cl)cc1- InChIKey
XASCHAIBHMNANK-UHFFFAOYSA-N- Molecular formula
- C8H10ClO3PS
- Average molar mass
- 252.66 g/mol
- Monoisotopic mass
- 251.97768
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-(4-chlorophenyl) O-ethyl ester
- IUPAC
- (4-chlorophenyl)sulfanyl-ethoxyphosphinic acid
Names & synonyms
90965-41-6Phosphorothioic acid, S-(4-chlorophenyl) O-ethyl esterDTXSID60920033S-(4-chlorophenyl) O-ethyl hydrogen phosphorothioate
Database identifiers
- CAS
90965-41-6- PubChem CID
- 185058
- DTXSID
DTXSID60920033
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- 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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