Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
Basic information
- CAS
27956-88-3- Standard SMILES
NC(=O)CCNCCSP(=O)(O)O- InChIKey
MQAISPIJGUNNSJ-UHFFFAOYSA-N- Molecular formula
- C5H13N2O4PS
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.03336507
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide
- IUPAC
- 2-[(3-amino-3-oxopropyl)amino]ethylsulfanylphosphonic acid
Names & synonyms
BetamideWR6458BRN 394813227956-88-33-((2-(Phosphonothio)ethyl)amino)propanamideDTXSID80182237S-(2-((2'-Carbamoylethyl)amino)ethyl) dihydrogen phosphorothioatePhosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamidePropanamide, 3-((2-(phosphonothio)ethyl)amino)-Phosphorothioic acid, S-ester with 3-((2-mercaptoethyl)amino)propionamide (8CI)RefChem:371492DTXCID90104728
Show more names
CHEMBL309510SCHEMBL29623175N~3~-[2-(Phosphonosulfanyl)ethyl]-beta-alaninamide
Database identifiers
- CAS
27956-88-3- PubChem CID
- 214263
- DTXSID
DTXSID80182237- ChEMBL
CHEMBL309510
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…