CAS Registry Number: 23616-15-1

Name:

1,​2,​3-​Benzothiadiazole-​5-​carboxylic acid, methyl ester

Chemical Formula: C8H6N2O2S
Exact Mass: 194.01
Molecular Weight: 194.21
m/z: 194.01 (100.0%), 195.02 (8.8%), 196.01 (4.5%), 195.01 (1.5%)
Elemental Analysis: C, 49.47; H, 3.11; N, 14.42; O, 16.48; S, 16.51

InChI: InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3
InChIKey: JCRFJMHWEAYQAA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)SN=N2

Specification

98%

1. (1) Soloway, Samuel B.; ZA 6706357 1969 CAPLUS