4-Thiazolidinecarboxylic acid

C4H7NO2SCAS 444-27-9133.17 g/mol

Open in Covalent MOL file
OHOSHN
Carboxylic acidSecondary amineSulfide

Properties

Molecular formula
C4H7NO2S
Molar mass
133.17 g/mol
Exact mass
133.0197 Da
Melting point
196.5 °C
logP
-0.27Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
444-27-9
SMILES
O=C(O)C1CSCN1
InChIKey
DZLNHFMRPBPULJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)

Weigh it out

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

Names and synonyms

22 names · show all
  • Timonacic
  • Hepalidine
  • Heparegene
  • γ-Thiaproline
  • Thioproline
  • Thiaproline
  • Heparegen
  • DL-4-Thiazolidinecarboxylic acid
  • (±)-4-Thiazolidinecarboxylic acid
  • DL-Thiaproline
  • Norgamen
  • ATC
  • Detoxepa
  • Tiazolidin
  • NSC 25855
  • Norgamem
  • 1,3-Thiazolidine-4-carboxylic acid
  • 1,3-Thiazolane-4-carboxylic acid
  • 1,3-Thiazolidin-3-ium-4-carboxylate
  • T 4CA
  • 4-Carboxythiazolidine
  • Thiazolidinecarboxylic acid

Work with 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

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.

L-Thioproline34592-47-7Defined stereoisomer

Similar compounds

Thiomorpholine-3-carboxylic acid20960-92-366 % similar Azetidine-2-carboxylic acid2133-34-848 % similar (±)-2-Azetidinecarboxylic acid2517-04-648 % similar D-Azetidine-2-carboxylic acid7729-30-848 % similar Proline147-85-345 % similar D-Proline344-25-245 % similar DL-Proline609-36-945 % similar 2-Aminothiazoline-4-carboxylic acid2150-55-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiazolidine-2-carboxylic acid16310-13-7 Ethyl thiooxamate16982-21-1 Thiazolidine-2-carboxylic acid65126-70-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook