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CAS Number: 3829-80-9
methyl 2-amino-4-methylthiazole-5-carboxylate

Structure

methyl 2-amino-4-methylthiazole-5-carboxylate
Name: methyl 2-amino-4-methylthiazole-5-carboxylate
Synonyms:
General Information
Product Number: 3829809
CAS Registry Number: 3829-80-9
Name:
5-​Thiazolecarboxylic acid, 2-​amino-​4-​methyl-​, methyl ester
2-​Amino-​4-​methyl-​1,​3-​thiazole-​5-​carboxylic acid methyl ester; 2-​Amino-​4-​methylthiazole-​5-​carboxylic acid methyl ester; Methyl 2-​amino-​4-​methylthiazole-​5-​carboxylate 
 
Chemical Formula: C6H8N2O2S
Exact Mass: 172.03
Molecular Weight: 172.20
m/z: 172.03 (100.0%), 173.03 (8.1%), 174.03 (5.0%)
Elemental Analysis: C, 41.85; H, 4.68; N, 16.27; O, 18.58; S, 18.62
 
InChI: InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)
InChIKey: TYUGYIMCRDPMPJ-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC(=N1)N)C(=O)OC
 
Thermal Properties Value Condition Note
Melting Point 220-221 °C   (3)CAS
Melting Point 132-134 °C Solv: ethyl acetate (141-78-6); methanol (67-56-1) (2)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Li, Ze; Journal of Medicinal Chemistry 2008, V51(15), P4660-4671 CAPLUS
  3. (3) Kazankova, M. A.; Zhurnal Obshchei Khimii 1965, V35(8), P1447-53 CAPLUS
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