Basic information
- CAS
21722-85-0- Standard SMILES
CCOP(=O)(SCc1ccccc1)c1ccccc1- InChIKey
PBOOGLULPGUHFZ-UHFFFAOYSA-N- Molecular formula
- C15H17O2PS
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.06868795
Names & identifiers
- Preferred name
- Inezin
- IUPAC
- [ethoxy(phenyl)phosphoryl]sulfanylmethylbenzene
- English name
- Inezin
- Molecular formula
- C15H17O2PS
- Molecular weight
- 292.33
Names & synonyms
INEZIN21722-85-0139T2EY20MPhenylphosphonothioic acid O-ethyl S-(phenylmethyl) esterRefChem:148262ESBPBRN 2283950(RS)-(S-benzyl O-ethyl phenylphosphonothioate)UNII-139T2EY20MPhosphonothioic acid, phenyl-, S-benzyl O-ethyl esterSCHEMBL11758891DTXSID40944338
Show more names
[ethoxy(phenylMethylsulfanyl)phosphoryl]benzenePhenylthiophosphonic acid O-ethyl S-benzyl esterPhosphonothioic acid, P-phenyl-, O-ethyl S-(phenylmethyl) ester
Phosphonothioic acid, phenyl-, O-ethyl S-(phenylmethyl) esterO-ethyl S-benzyl phenylphosphonothioateS-Benzyl O-ethyl phenylphosphonothioateQ27251500O-ETHYL S-(PHENYLMETHYL) P-PHENYLPHOSPHONOTHIOATE
Database identifiers
- CAS
21722-85-0- PubChem CID
- 30772
- DTXSID
DTXSID40944338- UNII
- 139T2EY20M
- Nikkaji
- J10.775A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- FDA UNII
- 139 T2EY20M · 139T2EY20M
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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