2-[4-(1-Methylethyl)phenyl]-4-thiazolecarboxylic acid

CAS Registry Number®

115311-26-7

CAS Name

2-[4-(1-Methylethyl)phenyl]-4-thiazolecarboxylic acid

Molecular Formula

C13H13NO2S

Molecular Mass

247.31

Cite this Page

2-[4-(1-Methylethyl)phenyl]-4-thiazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115311-26-7 (retrieved 2024-11-23) (CAS RN: 115311-26-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-166 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)12-14-11(7-17-12)13(15)16/h3-8H,1-2H3,(H,15,16)

InChIKey

InChIKey=CASMWKSPVZDRCY-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1N=C(SC1)C2=CC=C(C(C)C)C=C2

Canonical SMILES

O=C(O)C=1N=C(SC1)C=2C=CC(=CC2)C(C)C

Other Names for this Substance

  • 4-Thiazolecarboxylic acid, 2-[4-(1-methylethyl)phenyl]-
  • 2-[4-(1-Methylethyl)phenyl]-4-thiazolecarboxylic acid
  • 2-[4-(Propan-2-yl)phenyl]-1,3-thiazole-4-carboxylic acid
  • 2-(4-Isopropylphenyl)-1,3-thiazole-4-carboxylic acid

CAS INSIGHTSTM
Hourglass and a clock