4-Amino-3-phenyl-5-isothiazolecarboxylic acid

CAS Registry Number®

82424-75-7

CAS Name

4-Amino-3-phenyl-5-isothiazolecarboxylic acid

Molecular Formula

C10H8N2O2S

Molecular Mass

220.25

Cite this Page

4-Amino-3-phenyl-5-isothiazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82424-75-7 (retrieved 2024-11-22) (CAS RN: 82424-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247-248 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H8N2O2S/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h1-5H,11H2,(H,13,14)

InChIKey

InChIKey=RFVQCWQMQWFMPC-UHFFFAOYSA-N

SMILES

NC=1C(=NSC1C(O)=O)C2=CC=CC=C2

Canonical SMILES

O=C(O)C=1SN=C(C=2C=CC=CC2)C1N

Other Names for this Substance

  • 5-Isothiazolecarboxylic acid, 4-amino-3-phenyl-
  • 4-Amino-3-phenyl-5-isothiazolecarboxylic acid
  • 3-Phenyl-4-aminoisothiazole-5-carboxylic acid