Basic information
- CAS
5823-17-6- Standard SMILES
CCOP(=S)(OCC)SCc1ccc(Cl)cc1- InChIKey
VHKRBADFIQTUFN-UHFFFAOYSA-N- Molecular formula
- C11H16ClO2PS2
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0017868
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(p-chlorobenzyl) O,O-diethyl ester
- IUPAC
- (4-chlorophenyl)methylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
- English name
- S-(p-Chlorobenzyl)O,O-diethyl=phosphorodithioate
- Molecular formula
- C11H16ClO2PS2
- Molecular weight
- 310.8
Names & synonyms
Bayer 183415823-17-6ENT 22,751BRN 2534694Phosphorodithioic acid, S-(p-chlorobenzyl) O,O-diethyl esterS-(p-Chlorobenzyl) O,O-diethyl dithiophosphateO,O-Diethyl S-(p-chlorobenzyl)phosphorodithioate4-06-00-02781 (Beilstein Handbook Reference)Benzenethiol, p-chloro-, S-ester with O,O-diethyl phophorodithioateDTXSID00206964RefChem:371210DTXCID30129455
Show more names
ENT-22751Bayer-18341Phosphorodithioic acid, S-[(4-chlorophenyl)methyl] O,O-diethyl ester
S-(p-Chlorobenzyl)O,O-diethyl=phosphorodithioateS-[(4-Chlorophenyl)methyl] O,O-diethyl phosphorodithioate
Database identifiers
- CAS
5823-17-6- PubChem CID
- 79899
- DTXSID
DTXSID00206964- Nikkaji
- J53.799C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 105 · 105-107 °C(Press: 0.01 Torr)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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