Basic information
- CAS
74-59-9- Standard SMILES
CC(C)OP(=S)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C- InChIKey
HPRUXUNKZOGTDY-UHFFFAOYSA-N- Molecular formula
- C12H18NO5PS
- Average molar mass
- 319.32 g/mol
- Monoisotopic mass
- 319.06433085
Names & identifiers
- Preferred name
- O,O-Bis(1-methylethyl) O-(4-nitrophenyl) phosphorothioate
- IUPAC
- (4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Names & synonyms
74-59-9RefChem:1093482O,O-Bis(1-methylethyl) O-(4-nitrophenyl) phosphorothioatePhosphorothioic acid, O,O-bis(1-methylethyl) O-(4-nitrophenyl) esterIsopropyl parathionDiisopropyl parathionCompound 3,456BAY 65031BRN 2155009AI3-10620O,O-Diisopropyl O-p-nitrophenyl thiophosphateO,O-Diisopropyl-O-p-nitrophenyl phosphorothioate
Show more names
DTXSID6075354Phosphorothioic acid, O,O-diisopropyl O-(p-nitrophenyl) esterO-(4-Nitrophenyl) O,O-di(propan-2-yl) phosphorothioate
Database identifiers
- CAS
74-59-9- PubChem CID
- 66151
- DTXSID
DTXSID6075354- Nikkaji
- J5.262K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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