2-(1,3-Benzodioxol-5-yl)-4-thiazolidinecarboxylic acid

CAS Registry Number®

72678-96-7

CAS Name

2-(1,3-Benzodioxol-5-yl)-4-thiazolidinecarboxylic acid

Molecular Formula

C11H11NO4S

Molecular Mass

253.27

Cite this Page

2-(1,3-Benzodioxol-5-yl)-4-thiazolidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72678-96-7 (retrieved 2024-11-22) (CAS RN: 72678-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-169 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H11NO4S/c13-11(14)7-4-17-10(12-7)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10,12H,4-5H2,(H,13,14)

InChIKey

InChIKey=XFGXAJCIOOXIGL-UHFFFAOYSA-N

SMILES

C(O)(=O)C1NC(C=2C=C3C(=CC2)OCO3)SC1

Canonical SMILES

O=C(O)C1NC(SC1)C2=CC=C3OCOC3=C2

Other Names for this Substance

  • 4-Thiazolidinecarboxylic acid, 2-(1,3-benzodioxol-5-yl)-
  • 4-Thiazolidinecarboxylic acid, 2-(3,4-methylenedioxyphenyl)-
  • 2-(1,3-Benzodioxol-5-yl)-4-thiazolidinecarboxylic acid
  • 2-(1,3-Benzodioxol-5-yl)-1,3-thiazolidin-3-ium-4-carboxylate
  • 2-(Benzo[d][1,3]dioxol-5-yl)thiazolidine-4-carboxylic acid

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