Basic information
- CAS
13074-09-4- Standard SMILES
CCc1cc(OP(=S)(OC)OC)ccc1[N+](=O)[O-]- InChIKey
ICSZIVRHPGGLMP-UHFFFAOYSA-N- Molecular formula
- C10H14NO5PS
- Average molar mass
- 291.26 g/mol
- Monoisotopic mass
- 291.03303072
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester
- IUPAC
- (3-ethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, O,O-dimethyl O-(3-ethyl-4-nitrophenyl) esterDTXSID1015670413074-09-4RefChem:1095506DTXCID9079195Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl esterBRN 2292512CHEMBL158566O,O-Dimethyl O-(3-ethyl-4-nitrophenyl)phosphorothioateO-(3-Ethyl-4-nitrophenyl) O,O-dimethyl phosphorothioate
Database identifiers
- CAS
13074-09-4- PubChem CID
- 83105
- DTXSID
DTXSID10156704- ChEMBL
CHEMBL158566- Nikkaji
- J107.109B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
LogP3.74
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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