2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid

CAS Registry Number®

110284-79-2

CAS Name

2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid

Molecular Formula

C13H12N2O4S

Molecular Mass

292.31

Cite this Page

2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110284-79-2 (retrieved 2024-11-28) (CAS RN: 110284-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-130 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H12N2O4S/c1-18-10-7-11(19-2)15-13(14-10)20-9-6-4-3-5-8(9)12(16)17/h3-7H,1-2H3,(H,16,17)

InChIKey

InChIKey=DFQPVZIMUBRHGM-UHFFFAOYSA-N

SMILES

S(C1=C(C(O)=O)C=CC=C1)C=2N=C(OC)C=C(OC)N2

Canonical SMILES

O=C(O)C=1C=CC=CC1SC=2N=C(OC)C=C(N2)OC

Other Names for this Substance

  • Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-
  • 2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid
  • 2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)benzoic acid

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