Phosphorothioic acid, O,O-dimethyl O-thymyl ester
Basic information
- CAS
15037-62-4- Standard SMILES
COP(=S)(OC)Oc1cc(C)ccc1C(C)C- InChIKey
RBHCNTDVBLSWGQ-UHFFFAOYSA-N- Molecular formula
- C12H19O3PS
- Average molar mass
- 274.32 g/mol
- Monoisotopic mass
- 274.07925264
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-thymyl ester
- IUPAC
- dimethoxy-(5-methyl-2-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
O,O-Dimethyl phosphonothionate of thymolPhosphorothioic acid, O,O-dimethyl O-thymyl esterO,O-Dimethyl O-thymylphosphorothioate15037-62-4DTXSID20164532RefChem:371374DTXCID5087023CHEMBL2288524O,O-Dimethyl O-[5-methyl-2-(propan-2-yl)phenyl] phosphorothioate
Database identifiers
- CAS
15037-62-4- PubChem CID
- 203702
- DTXSID
DTXSID20164532- ChEMBL
CHEMBL2288524
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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