CAS Registry Number: 85006-31-1

Name:

2-​Thiophenecarboxylic acid, 3-​amino-​4-​methyl-​, methyl ester
2-​Methoxycarbonyl-​3-​amino-​4-​methylthiophene; 3-​Amino-​4-​methyl-​2-​methoxycarbonylthiop​hene; 3-​Amino-​4-​methylthiophene-​2-​carboxylic acid methyl ester; Methyl 3-​amino-​4-​methylthiophene-​2-​carboxylate 

Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73

InChI: InChI=1S/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3
InChIKey: YICRPERKKBDRSP-UHFFFAOYSA-N
Canonical SMILES : CC1=CSC(=C1N)C(=O)OC

Specification

98%

1. (1) Rippel, Robert; DE 3804794 A1 1989 CAPLUS
2. (2) GB 837086 1960 CAPLUS