2-Amino-3-benzylsulfanylpropanoic acid
Basic information
- CAS
16597-46-9- Standard SMILES
NC(CSCc1ccccc1)C(=O)O- InChIKey
GHBAYRBVXCRIHT-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669966
Names & identifiers
- Preferred name
- 2-Amino-3-benzylsulfanylpropanoic acid
- IUPAC
- 2-amino-3-benzylsulfanylpropanoic acid
- English name
- S-Benzylcysteine
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
5680-65-92-AMINO-3-(BENZYLSULFANYL)PROPANOIC ACIDS-Benzyl-dl-cysteine2-amino-3-benzylsulfanylpropanoic acidS-benzylcysteine hydrateMFCD00151996cysteine, S-(phenylmethyl)-, hydrate16597-46-9NSC43125NSC638614Benzylcysteine #(2S)-2-amino-3-benzylsulfanylpropanoic acid
Show more names
2-Amino-3-benzylsulfanyl-propionic acid
starbld0003358S-(Phenylmethyl)cysteineSCHEMBL1109643CHEMBL2009858NSC2527DTXSID901358093ALBB-023349NSC-2527
Database identifiers
- CAS
16597-46-9、3054-01-1、5680-65-9- PubChem CID
- 220175
- DTXSID
DTXSID901358093- ChEMBL
CHEMBL2009858- Nikkaji
- J372.979F
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 379.2 · 379.2±42.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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