Basic information
- CAS
3820-53-9- Standard SMILES
COP(=O)(OC)Sc1ccc([N+](=O)[O-])cc1- InChIKey
DHPZHUPSZPYWMB-UHFFFAOYSA-N- Molecular formula
- C8H10NO5PS
- Average molar mass
- 263.21 g/mol
- Monoisotopic mass
- 263.00173059
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester
- IUPAC
- 1-dimethoxyphosphorylsulfanyl-4-nitrobenzene
- English name
- Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester
- Molecular formula
- C8H10NO5PS
- Molecular weight
- 263.21
Names & synonyms
Methyl parathion S-isomerDimethyl paranitrophenyl thionophosphate3820-53-9BRN 1985837Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) esterO,O-Dimethyl S-(4-nitrophenyl)thiophosphateO,O-Dimethyl S-(p-nitrophenyl) phosphorothioateDTXSID00191583O,O-Dimethyl-S-p-nitrofenyl ester kyseliny thiofosforecne [Czech]4-06-00-01720 (Beilstein Handbook Reference)O,O-Dimethyl-S-p-nitrofenyl ester kyseliny thiofosforecneRefChem:371382
Show more names
Phosphorothioic acid, O,O-dimethyl S-(4-nitrophenyl) ester
DTXCID40114074O,O-dimethyl S-(4-nitrophenyl) phosphorothioateSCHEMBL6151104Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester
Database identifiers
- CAS
3820-53-9- PubChem CID
- 77439
- DTXSID
DTXSID00191583- Nikkaji
- J107.114I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 55.5 °C · 55.5°C
- Boiling point
- 119 °C · 119 °C(Press: 0.01 Torr)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- form
- solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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