Basic information
- CAS
4268-95-5- Standard SMILES
CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1- InChIKey
CJHOPJDFFAVVIW-UHFFFAOYSA-N- Molecular formula
- C15H16NO4PS
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 337.05376616
Names & identifiers
- Preferred name
- Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester
- IUPAC
- ethoxy-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
4268-95-5Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) esterRefChem:1095275BRN 2951054p-Tolylphosphonothioic acid O-ethyl O-(p-nitrophenyl) esterDTXSID90962623O-Ethyl O-(4-nitrophenyl) (4-methylphenyl)phosphonothioate
Database identifiers
- CAS
4268-95-5- PubChem CID
- 199491
- DTXSID
DTXSID90962623
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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