Basic information
- CAS
93778-44-0- Standard SMILES
CC(=O)NC(CCS)C(N)=O- InChIKey
KGJSSLCIQCIWPP-UHFFFAOYSA-N- Molecular formula
- C6H12N2O2S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.0619488
Names & identifiers
- Preferred name
- (1)-2-(Acetylamino)-4-mercaptobutyramide
- IUPAC
- 2-acetamido-4-sulfanylbutanamide
Names & synonyms
93778-44-0(1)-2-(Acetylamino)-4-mercaptobutyramideEINECS 298-181-6NSC 353619NSC353619SCHEMBL10070143DTXSID60918011KGJSSLCIQCIWPP-UHFFFAOYSA-NNSC-353619NS001228212-[(1-Hydroxyethylidene)amino]-4-sulfanylbutanimidic acid
Database identifiers
- CAS
93778-44-0- PubChem CID
- 337022
- DTXSID
DTXSID60918011- EC Number
- 298-181-6
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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