2-Phenylthiazolidine-4-carboxylic acid

C₁₀H₁₁NO₂SCAS 42607-21-6209.26 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine Sulfide

Properties

Molecular formula: C₁₀H₁₁NO₂S
Molar mass: 209.26 g/mol
Exact mass: 209.0510 Da
Melting point: 160 °C
logP: 1.47Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

42607-21-6

SMILES

O=C(O)C1CSC(c2ccccc2)N1

InChIKey

AZDYQBFYMBALBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)

Weigh it out

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

Names and synonyms

3 names

4-Thiazolidinecarboxylic acid, 2-phenyl-
2-Phenyl-4-thiazolidinecarboxylic acid
NSC 522094

Work with 2-Phenylthiazolidine-4-carboxylic acid

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

2-(2-Thienyl)-4-thiazolidinecarboxylic acid32451-19-762 % similar Diphenylacetic acid117-34-047 % similar Phenylmalonic acid2613-89-047 % similar L-Proline, 4-phenyl-, hydrochloride (1:1), (4S)-90657-53-747 % similar Tropic acid529-64-645 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-245 % similar (S)-Mandelic acid17199-29-045 % similar (-)-Mandelic acid611-71-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dimethoxybenzyl isothiocyanate14596-50-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook