Basic information
- CAS
6367-97-1- Standard SMILES
CC(O)CSC[C@H](N)C(=O)O- InChIKey
HWNSBXNHMRDTRT-AKGZTFGVSA-N- Molecular formula
- C6H13NO3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.06161445
Names & identifiers
- Preferred name
- 3-(2-Hydroxypropylthio)alanine
- IUPAC
- (2R)-2-amino-3-(2-hydroxypropylsulfanyl)propanoic acid
Names & synonyms
3-(2-Hydroxypropylthio)alanineL-Cysteine, S-(2-hydroxypropyl)-6367-97-1S-(2-Hydroxypropyl)cysteineS-(2-hydroxypropyl) cysteineSCHEMBL11572500DTXSID20979901S-(2-HYDROXYPROPYL)-L-CYSTEINE
Database identifiers
- CAS
6367-97-1- PubChem CID
- 21149331
- DTXSID
DTXSID20979901
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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