Basic information
- CAS
3928-03-8- Standard SMILES
COP(=S)(OC)SCC(=O)NC(C)C- InChIKey
QFDTYSDXEYRVRU-UHFFFAOYSA-N- Molecular formula
- C7H16NO3PS2
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.03092272
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-dimethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester
- IUPAC
- 2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
- English name
- Dithiophosphoric acid O,O-dimethyl S-[(N-isopropylcarbamoyl)methyl] ester
- Molecular weight
- 0
Names & synonyms
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-isopropyl-2-mercaptoacetamide3928-03-8DTXSID10192526Phosphorodithioic acid, O,O-dimethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) esterRefChem:1095447DTXCID50115017BRN 1790547AI3-24651O,O-Dimethyl S-(N-isopropylcarbamoylmethyl) dithiophosphateO,O-Dimethyl S-{2-oxo-2-[(propan-2-yl)amino]ethyl} phosphorodithioateDithiophosphoric acid O,O-dimethyl S-[(N-isopropylcarbamoyl)methyl] ester
Database identifiers
- CAS
3928-03-8- PubChem CID
- 77527
- DTXSID
DTXSID10192526- Nikkaji
- J96.879J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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