Basic information
- CAS
7378-21-4- Standard SMILES
CC(=O)N[C@@H](CCS)C(=O)O- InChIKey
REYLLNRLWCBKCM-YFKPBYRVSA-N- Molecular formula
- C6H11NO3S
- Average molar mass
- 177.22 g/mol
Names & identifiers
- Preferred name
- (2S)-2-acetamido-4-sulfanylbutanoic acid
- IUPAC
- (2S)-2-acetamido-4-sulfanylbutanoic acid
- English name
- N-acetylhomocysteine
- Molecular formula
- C6H11NO3S
- Molecular weight
- 177.22
Names & synonyms
(2S)-2-acetamido-4-sulfanylbutanoic acid(S)-2-Acetamido-4-mercaptobutanoic acidN-AcetylhomocysteinL-Homocysteine, N-acetyl-SCHEMBL93989REYLLNRLWCBKCM-YFKPBYRVSA-N(S)-2-Acetamido-4-mercaptobutanoicacidNS00054425N-acetylhomocysteine
Database identifiers
- CAS
7378-21-4- PubChem CID
- 165598
- Nikkaji
- J265.412A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Erdosteine
Physicochemical properties
- Boiling point
- 434.3 · 434.3±40.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.10(Predicted)
Related reactions
1 records
Compound notes
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