O,S-Dimethyl methylphosphonothioate
Basic information
- CAS
58259-60-2- Standard SMILES
COP(C)(=O)SC- InChIKey
XXJOBAQYIIOHIP-UHFFFAOYSA-N- Molecular formula
- C3H9O2PS
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0060877
Names & identifiers
- Preferred name
- O,S-Dimethyl methylphosphonothioate
- IUPAC
- [methyl(methylsulfanyl)phosphoryl]oxymethane
- English name
- Methylthiophosphonic acid O,S-dimethyl ester
- Molecular formula
- C3H9O2PS
- Molecular weight
- 140.14
Names & synonyms
O,S-Dimethyl methylphosphonothioate58259-60-2DTXSID70973818RefChem:1093519DTXCID601401261Dimethoxymethylphosphine sulfidePhosphonothioic acid, methyl-, O,S-dimethyl ester79236-72-9SCHEMBL260039XXJOBAQYIIOHIP-UHFFFAOYSA-No,s-dimethyl methylphosphonothiolateAKOS006277927
Show more names
Methylthiophosphonic acid S,O-dimethyl esterMethylthiophosphonic acid O,S-dimethyl esterMethylphosphonothioic acid O,S-dimethyl esterPhosphonothioic acid, P-methyl-, O,S-dimethyl ester
Database identifiers
- CAS
58259-60-2- PubChem CID
- 198370
- DTXSID
DTXSID70973818- Nikkaji
- J92.151C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- Boiling point
- 165.4 · 165.4±23.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
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Compound notes
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