Basic information
- CAS
26390-16-9- Standard SMILES
COP(=O)(OC)SCC(N)=O- InChIKey
BAXBPBNCIQWIFW-UHFFFAOYSA-N- Molecular formula
- C4H10NO4PS
- Average molar mass
- 199.17 g/mol
- Monoisotopic mass
- 199.00681597
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-(2-amino-2-oxoethyl) O,O-dimethyl ester
- IUPAC
- 2-dimethoxyphosphorylsulfanylacetamide
Names & synonyms
De-N-methyldimethoxonBRN 2254411O,O-Dimethyl S-(carbamoylmethyl) phosphorothiolate26390-16-9DTXSID20180994Phosphorothioic acid, S-(2-amino-2-oxoethyl) O,O-dimethyl esterPhosphorothioic acid, S-(2-amino-2-oxoethyl) O,O-dimethyl ester (9CI)Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-mercaptoacetamideRefChem:371472DTXCID60103485s-(2-amino-2-oxoethyl) o,o-dimethyl phosphorothioate
Database identifiers
- CAS
26390-16-9- PubChem CID
- 213467
- DTXSID
DTXSID20180994
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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