Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester
Basic information
- CAS
7205-22-3- Standard SMILES
COP(=O)(OC)SCc1cc(C)ccc1SC- InChIKey
XGWWGNFDTNLHBE-UHFFFAOYSA-N- Molecular formula
- C11H17O3PS2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.03567374
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester
- IUPAC
- 2-(dimethoxyphosphorylsulfanylmethyl)-4-methyl-1-methylsulfanylbenzene
Names & synonyms
Bayer 56582BAY 56582Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester7205-22-3DTXSID60222382RefChem:371377DTXCID60144873O,O-Dimethyl S-{[5-methyl-2-(methylsulfanyl)phenyl]methyl} phosphorothioate
Database identifiers
- CAS
7205-22-3- PubChem CID
- 201979
- DTXSID
DTXSID60222382
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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