Beta-Phenylcysteine

C9H11NO2SCAS 34317-61-8197.25 g/mol

Open in Covalent MOL file
SOOHNH2
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C9H11NO2S
Molar mass
197.25 g/mol
Exact mass
197.0510 Da
logP
1.19Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
34317-61-8
SMILES
C1=CC=C(C=C1)SC[C@@H](C(=O)O)N
InChIKey
XYUBQWNJDIAEES-QMMMGPOBSA-N
InChI
InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

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Names and synonyms

1 names
  • S-Phenyl-L-cysteine

Work with Beta-Phenylcysteine

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

Similar compounds

H-D-Cys(bzl)-oh23032-53-363 % similar S-Benzyl-L-cysteine3054-01-163 % similar S-Trityl-L-cysteine2799-07-762 % similar DL-Phenylalanine150-30-158 % similar Phenylalanine63-91-258 % similar D-Phenylalanine673-06-358 % similar Dl-homophenylalanine1012-05-157 % similar D-Homophenylalanine82795-51-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Propylthio)nicotinic acid175135-22-5 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid methyl ester184174-80-9 2,4-Dimethoxy-thiobenzamide23822-07-3 2-(4-Methoxyphenoxy)ethanethioamide35370-92-4

Elsewhere

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