5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid

CAS Registry Number®

15909-94-1

CAS Name

5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid

Molecular Formula

C9H6N4O4S

Molecular Mass

266.23

Cite this Page

5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15909-94-1 (retrieved 2024-11-22) (CAS RN: 15909-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N4O4S/c14-7(15)4-1-5(8(16)17)3-6(2-4)13-9(18)10-11-12-13/h1-3H,(H,14,15)(H,16,17)(H,10,12,18)

InChIKey

InChIKey=LXGZJSKVCIUYMT-UHFFFAOYSA-N

SMILES

S=C1N(C2=CC(C(O)=O)=CC(C(O)=O)=C2)N=NN1

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)N2N=NNC2=S)C(=O)O

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
  • Isophthalic acid, 5-(5-mercapto-1H-tetrazol-1-yl)-
  • 5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid
  • 1-(3,5-Dicarboxy)phenyl-5-mercaptotetrazole
  • 1-(3,5-Dicarboxyphenyl)-2-tetrazoline-5-thione

CAS INSIGHTSTM
Targeted protein degrader structure, illustration