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CAS Number: 61320-65-8
methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

Structure

methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
Name: methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
Synonyms:
General Information
Product Number: 61320658
CAS Registry Number: 61320-65-8
Name:
        2-​Thiophenecarboxylic acid, 5-​amino-​4-​cyano-​3-​methyl-​, methyl ester
        2-​Amino-​3-​cyano-​4-​methylthiophene-​5-​carboxylic acid methyl ester 
 
Chemical Formula: C8H8N2O2S
Exact Mass: 196.03
Molecular Weight: 196.23
m/z: 196.03 (100.0%), 197.03 (10.3%), 198.03 (5.1%)
Elemental Analysis: C, 48.97; H, 4.11; N, 14.28; O, 16.31; S, 16.34
 
InChI: InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3
InChIKey: PDDIXJQTRLVRCG-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC(=C1C#N)N)C(=O)OC

Specification

98%

References

PCT Int. Appl. (2012), WO 2012021696 A1 20120216. 

PCT Int. Appl. (2011), WO 2011104340 A1 20110901. 

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