CAS Registry Number: 61325-02-8

Name:

3-​Thiophenecarboxylic acid, 2-​amino-​5-​phenyl-​, methyl ester
2-​Amino-​3-​(methoxycarbonyl)​-​5-​phenylthiophene; 2-​Amino-​5-​phenylthiophene-​3-​carboxylic acid methyl ester; Methyl 2-​amino-​5-​phenyl-​3-​thiophenecarboxylate 

Chemical Formula: C12H11NO2S
Exact Mass: 233.05
Molecular Weight: 233.29
m/z: 233.05 (100.0%), 234.05 (14.1%), 235.05 (4.7%), 235.06 (1.2%)
Elemental Analysis: C, 61.78; H, 4.75; N, 6.00; O, 13.72; S, 13.74

InChI: InChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey: QKYRXLPXSJZIQM-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N

Specification

98%

1. (1) Gopinath, Purushothaman; Journal of Organic Chemistry 2011, V76(2), P700-703 CAPLUS
2. (2) Huang, Yijun; Chemical Biology & Drug Design 2010, V76(2), P116-129 CAPLUS
3. (3) Nielsen, Knud Erik; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1978, VB32(4), P303-5 CAPLUS