S-Methyl methyl(3-oxobutyl)phosphinothioate
Basic information
- CAS
64010-95-3- Standard SMILES
CSP(C)(=O)CCC(C)=O- InChIKey
AOPLMHKLGKWNCD-UHFFFAOYSA-N- Molecular formula
- C6H13O2PS
- Average molar mass
- 180.21 g/mol
- Monoisotopic mass
- 180.03738782
Names & identifiers
- Preferred name
- S-Methyl methyl(3-oxobutyl)phosphinothioate
- IUPAC
- 4-[methyl(methylsulfanyl)phosphoryl]butan-2-one
Names & synonyms
64010-95-3NSC273927S-Methyl methyl(3-oxobutyl)phosphinothioateDTXSID50313652NSC-273927
Database identifiers
- CAS
64010-95-3- PubChem CID
- 321635
- DTXSID
DTXSID50313652
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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