H-D-Cys(bzl)-oh

C10H13NO2SCAS 23032-53-3211.28 g/mol

Open in Covalent MOL file
SOOHNH2
Carboxylic acidPrimary amineSulfide

Properties

Molecular formula
C10H13NO2S
Molar mass
211.28 g/mol
Exact mass
211.0667 Da
logP
1.33Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin 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
23032-53-3
SMILES
C1=CC=C(C=C1)CSC[C@H](C(=O)O)N
InChIKey
GHBAYRBVXCRIHT-SECBINFHSA-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-/m1/s1

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

Work with H-D-Cys(bzl)-oh

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.

S-Benzyl-L-cysteine3054-01-1Enantiomer

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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