S-Benzyl-L-cysteine

C10H13NO2SCAS 3054-01-1211.28 g/mol

Open in Covalent MOL file
H2NSOHO
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C10H13NO2S
Molar mass
211.28 g/mol
Exact mass
211.0667 Da
Melting point
215–216 °C
logP
1.33Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3054-01-1
SMILES
N[C@@H](CSCc1ccccc1)C(=O)O
InChIKey
GHBAYRBVXCRIHT-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • L-Cysteine, S-(phenylmethyl)-
  • Alanine, 3-(benzylthio)-, L-
  • S-(Phenylmethyl)-L-cysteine
  • S-Benzylcysteine
  • (R)-S-Benzylcysteine
  • L-S-Benzylcysteine
  • 3-Benzylthioalanine
  • (S)-S-Benzylcysteine
  • NSC 523123
  • S-Benzyl-(R)-cysteine
  • (R)-2-Amino-3-(benzylthio)propanoic acid
  • (2R)-2-Amino-3-(benzylsulfanyl)propanoic acid
  • (2R)-2-Amino-3-benzylsulfanylpropanoic acid

Work with S-Benzyl-L-cysteine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

H-D-Cys(bzl)-oh23032-53-3Enantiomer

Similar compounds

DL-Phenylalanine150-30-164 % similar Phenylalanine63-91-264 % similar D-Phenylalanine673-06-364 % similar Beta-Phenylcysteine34317-61-863 % similar Dl-homophenylalanine1012-05-162 % similar D-Homophenylalanine82795-51-562 % similar L-Homophenylalanine943-73-762 % similar DL-Lanthionine3183-08-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-carboxylic acid methyl ester108354-78-5 Ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate4815-29-6

Elsewhere

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