Phosphorothioic acid, O,O-diethyl O-(2-nitrophenyl) ester
Basic information
- CAS
29689-00-7- Standard SMILES
CCOP(=S)(OCC)Oc1ccccc1[N+](=O)[O-]- InChIKey
BEYPOCXGNMSRCY-UHFFFAOYSA-N- Molecular formula
- C10H14NO5PS
- Average molar mass
- 291.26 g/mol
- Monoisotopic mass
- 291.03303072
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl O-(2-nitrophenyl) ester
- IUPAC
- diethoxy-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
2-NitroparathionBRN 3377178O,O-Diethyl O-(2-nitrophenyl) phosphorothioatePhosphorothioic acid, O,O-diethyl O-(2-nitrophenyl) ester29689-00-7DTXSID601838434-06-00-01267 (Beilstein Handbook Reference)RefChem:371271DTXCID00106334SCHEMBL11259237O,O-diethyl O-o-nitrophenyl phosphorothioate
Database identifiers
- CAS
29689-00-7- PubChem CID
- 207338
- DTXSID
DTXSID60183843
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
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Compound notes
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