Basic information
- CAS
2779-66-0- Standard SMILES
COP(=S)(OC)SCSc1ccc(Cl)c(Cl)c1- InChIKey
BRBJXQTYAAYTQX-UHFFFAOYSA-N- Molecular formula
- C9H11Cl2O2PS3
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 347.9035855
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-((3,4-dichlorophenylthio)methyl) O,O-dimethyl ester
- IUPAC
- (3,4-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
- English name
- S-[[(3,4-Dichlorophenyl)thio]methyl]O,O-dimethyl=phosphorodithioate
- Molecular formula
- C9H11Cl2O2PS3
- Molecular weight
- 349.26
Names & synonyms
Geigy G-304932779-66-0ENT 25,593G 30493Phosphorodithioic acid, S-((3,4-dichlorophenylthio)methyl) O,O-dimethyl esterDTXSID40182112O,O-Dimethyl S-(3,4-dichlorophenylthio)methyl phosphorodithioateS-((3,4-Dichlorophenylthio)methyl) O,O-dimethyl phosphorodithioateRefChem:371194DTXCID50104603s-{[(3,4-dichlorophenyl)sulfanyl]methyl} o,o-dimethyl phosphorodithioateS-[[(3,4-Dichlorophenyl)thio]methyl]O,O-dimethyl=phosphorodithioate
Show more names
G-30493ENT-25593
Phosphorodithioic acid, S-[[(3,4-dichlorophenyl)thio]methyl] O,O-dimethyl ester
Database identifiers
- CAS
2779-66-0- PubChem CID
- 76017
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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