Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid
Also Known As: Betamide|WR6458|3-((2-(Phosphonothio)ethyl)amino)propanamide|Propanamide, 3-((2-(phosphonothio)ethyl)amino)-|propanamide, 3-[[2-(phosphonothio)ethyl]amino]-|S-(2-((2'-Carbamoylethyl)amino)ethyl) dihydrogen phosphorothioate|Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide|2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid|N~3~-[2-(Phosphonosulfanyl)ethyl]-beta-alaninamide|Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (8CI)|Propanamide,3-[[2-(phosphonothio)ethyl]amino]- (9CI)
| Molecular Formula | C5H13N2O4PS |
|---|---|
| Molecular Weight | 228.03337 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.03337 |
| Monoisotopic Mass | 228.03337 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 33641-38-2 |
|---|---|
| SMILES | C(CNCCSP(=O)(O)O)C(=O)N |
| InChIKey | MQAISPIJGUNNSJ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (CAS 33641-38-2), with molecular formula C5H13N2O4PS and molecular weight 228.03337 g/mol. IUPAC: 2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid.