O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
Basic information
- CAS
3581-11-1- Standard SMILES
COc1cc(C#N)ccc1OP(=S)(OC)OC- InChIKey
JFEUEPKNHJHJDY-UHFFFAOYSA-N- Molecular formula
- C10H12NO4PS
- Average molar mass
- 273.25 g/mol
- Monoisotopic mass
- 273.02246604
Names & identifiers
- Preferred name
- O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
- IUPAC
- 4-dimethoxyphosphinothioyloxy-3-methoxybenzonitrile
Names & synonyms
O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate3581-11-1DTXSID70957198RefChem:1093565DTXCID401385142Stauffer B-11163TP540ENT 27,230BRN 1990048AI3-27230Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4-hydroxy-m-anisonitrileB 11163
Show more names
SCHEMBL11688545O,O-Dimethyl phosphorothioate, O-ester with 4-hydroxy-m-anisonitrilePhosphorothioic acid, O,O-dimethyl ester, O-ester with vanillonitrilePhosphorothioic acid, O,O-dimethyl O-(4-cyano-2-methoxyphenyl) esterPhosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-dimethyl esterAI 3-27230
Database identifiers
- CAS
3581-11-1- PubChem CID
- 77128
- DTXSID
DTXSID70957198- Nikkaji
- J14.527K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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