CAS Registry Number: 20699-85-8

Name:

Benzo[b]​thiophene-​2-​carboxylic acid, 5-​amino-​, methyl ester
5-​Amino-​1-​benzothiophene-​2-​carboxylic acid methyl ester; 5-​Aminobenzo[b]​thiophene-​2-​carboxylic acid methyl ester; Methyl 5-​amino-​1-​benzothiophene-​2-​carboxylate; Methyl 5-​aminobenzo[b]​thiophene-​2-​carboxylate 

Chemical Formula: C10H9NO2S
Exact Mass: 207.04
Molecular Weight: 207.25
m/z: 207.04 (100.0%), 208.04 (11.0%), 209.03 (4.5%), 208.03 (1.2%), 209.04 (1.1%)
Elemental Analysis: C, 57.95; H, 4.38; N, 6.76; O, 15.44; S, 15.47

InChI: InChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
InChIKey: SIMBULBEQVHFPK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(S1)C=CC(=C2)N

Specification

98%

(1) Caddy, B.; Australian Journal of Chemistry 1968, V21(7), P1853-66 CAPLUS