CAS Registry Number: 778611-10-2

Name:

2-​Thiophenecarboxylic acid, 5-​amino-​3-​chloro-​4-​methyl-​, methyl ester
3-​Chloro-​4-​methyl-​5-​aminothiophene-​2-​carboxylic acid methyl ester 

Chemical Formula: C7H8ClNO2S
Exact Mass: 205.00
Molecular Weight: 205.66
m/z: 205.00 (100.0%), 206.99 (36.5%), 206.00 (8.5%), 208.00 (2.9%), 208.99 (1.5%)
Elemental Analysis: C, 40.88; H, 3.92; Cl, 17.24; N, 6.81; O, 15.56; S, 15.59

InChI: InChI=1S/C7H8ClNO2S/c1-3-4(8)5(7(10)11-2)12-6(3)9/h9H2,1-2H3
InChIKey: PHLWTOPSYBEYQN-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC(=C1Cl)C(=O)OC)N

Specification

98%

PCT Int. Appl. (2006), WO 2006040569 A1 20060420.                                  

PCT Int. Appl. (2005), WO 2005100338 A1 20051027.