Basic information
- CAS
5954-10-9- Standard SMILES
CCOP(=O)(OCC)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
PFQVWSAUKWVGGW-UHFFFAOYSA-N- Molecular formula
- C10H10Cl5O3PS
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 415.853091
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester
- IUPAC
- 1,2,3,4,5-pentachloro-6-diethoxyphosphorylsulfanylbenzene
- English name
- Phosphorothioic acid O,O-diethyl S-(pentachlorophenyl) ester
- Molecular weight
- 0
Names & synonyms
Monsanto CP-11903BRN 2304787Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester5954-10-9ENT 24,948AI3-24948DTXSID80208224RefChem:371328DTXCID00130715Phosphorothioic acid O,O-diethyl S-(pentachlorophenyl) esterO,O-Diethyl S-pentachlorophenyl phosphorothioateENT-24948
Database identifiers
- CAS
5954-10-9- PubChem CID
- 80049
- DTXSID
DTXSID80208224- Nikkaji
- J50.465C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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