Phosphonodithioic acid, methyl-, O-ethyl ester, S-ester with N-[(ethylthio)methyl]-2-mercaptopropionamide
Basic information
- CAS
2928-76-9- Standard SMILES
CCOP(C)(=S)SC(C)C(=O)NCSCC- InChIKey
HAFROLGLIHZIMK-UHFFFAOYSA-N- Molecular formula
- C9H20NO2PS3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.0393794
Names & identifiers
- Preferred name
- Phosphonodithioic acid, methyl-, O-ethyl ester, S-ester with N-[(ethylthio)methyl]-2-mercaptopropionamide
- IUPAC
- 2-[ethoxy(methyl)phosphinothioyl]sulfanyl-N-(ethylsulfanylmethyl)propanamide
Names & synonyms
DTXSID4011109852928-76-9Phosphonodithioic acid, methyl-, O-ethyl ester, S-ester with N-[(ethylthio)methyl]-2-mercaptopropionamide
Database identifiers
- CAS
2928-76-9- PubChem CID
- 165367666
- DTXSID
DTXSID401110985
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…