2-(2-Thienyl)-4-thiazolidinecarboxylic acid

C8H9NO2S2CAS 32451-19-7215.29 g/mol

Open in Covalent MOL file
OHOSSHN
Carboxylic acidSecondary amineSulfide

Properties

Molecular formula
C8H9NO2S2
Molar mass
215.29 g/mol
Exact mass
215.0075 Da
Melting point
145–146 °C
logP
1.54Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
32451-19-7
SMILES
O=C(O)C1CSC(c2cccs2)N1
InChIKey
ZUDFHYZUQCNUJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)

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Names and synonyms

9 names
  • 4-Thiazolidinecarboxylic acid, 2-(2-thienyl)-
  • 2-(2-Thienyl)-L-thiazolidine-4-carboxylic acid
  • NSC 522095
  • NSC 83229
  • 2-(Thiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
  • 2-Thien-2-yl-1,3-thiazolidine-4-carboxylic acid
  • 2-Thiophen-2-yl-thiazolidine-4-carboxylic acid
  • 2-Thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
  • 2-Thien-2-ylthiazolidine-4-carboxylic acid

Work with 2-(2-Thienyl)-4-thiazolidinecarboxylic 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-Phenylthiazolidine-4-carboxylic acid42607-21-662 % similar α-Amino-2-thiopheneacetic acid21124-40-349 % similar (S)-2-Thienylglycine43189-45-349 % similar 2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid72678-92-348 % similar (2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one110221-26-640 % similar 2-Thienylalanine2021-58-140 % similar L-2-Thienylalanine22951-96-840 % similar Beta-2-Thienyl-D-alanine62561-76-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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