Basic information
- CAS
36559-55-4- Standard SMILES
CCOP(=S)(OCC)Oc1cccc([N+](=O)[O-])c1- InChIKey
RXUKDZPLAXXJFW-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-(3-nitrophenyl) ester
- IUPAC
- diethoxy-(3-nitrophenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
O,O-Diethyl O-(3-nitrophenyl) phosphorothioateBRN 3387884Phosphorothioic acid, O,O-diethyl O-(3-nitrophenyl) esterO-(3-Nitrophenyl) O,O-diethyl phosphorothioate36559-55-4DTXSID301900644-06-00-01278 (Beilstein Handbook Reference)RefChem:371274DTXCID40112555
Database identifiers
- CAS
36559-55-4- PubChem CID
- 215871
- DTXSID
DTXSID30190064
Properties
Computed structural properties
- XLogP
- 3.8
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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