CAS Registry Number: 129332-45-2

Name:

2-​Thiophenecarboxylic acid, 3-​amino-​4-​cyano-​5-​(methylthio)​-​, methyl ester
Methyl 3-​amino-​4-​cyano-​5-​(methylsulfanyl)​thiophene-​2-​carboxylate; Methyl 3-​amino-​4-​cyano-​5-​(methylthio)​-​2-​thiophenecarboxylate 

Chemical Formula: C8H8N2O2S2
Exact Mass: 228.00
Molecular Weight: 228.29
m/z: 228.00 (100.0%), 230.00 (9.1%), 229.01 (8.8%), 229.00 (2.3%)
Elemental Analysis: C, 42.09; H, 3.53; N, 12.27; O, 14.02; S, 28.09

InChI: InChI=1S/C8H8N2O2S2/c1-12-7(11)6-5(10)4(3-9)8(13-2)14-6/h10H2,1-2H3
InChIKey: VBXBCNWDAJLZOC-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C(=C(S1)SC)C#N)N

Specification

98%

PCT Int. Appl. (2009), WO 2009094224 A1 20090730.

PCT Int. Appl. (2006), WO 2006002051 A1 20060105.