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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid72678-92-359 % similar Diphenylacetic acid117-34-047 % similar Phenylmalonic acid2613-89-047 % similar (2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride90657-53-747 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-645 % similar cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-845 % similar Tropic acid529-64-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dimethoxybenzyl isothiocyanate14596-50-0 1-Methyl-1-tosylmethyl isocyanide58379-80-9

Elsewhere

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