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CAS Number: 18903-18-9
ethyl 5-aminothiazole-4-carboxylate

Structure

ethyl 5-aminothiazole-4-carboxylate
Name: ethyl 5-aminothiazole-4-carboxylate
Synonyms:
General Information
Product Number: 18903189
CAS Registry Number:
18903-18-9
Name:
4-Thiazolecarboxylic acid, 5-amino-, ethyl ester
5-Aminothiazole-4-carboxylic acid ethyl ester; Ethyl 5-amino-1,3-thiazol-4-carboxylate; Ethyl 5-amino-1,3-thiazole-4-carboxylate; Ethyl 5-amino-4-thiazolecarboxylate 
 
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/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2,7H2,1H3
InChIKey: AZDIMLOSMFZQLP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(SC=N1)N
 
Thermal Properties Value Condition Note
Melting Point 163.5 °C   (3)CAS
Melting Point 163 °C   (2)IC
Melting Point 162-163 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 162-163 °C Solv: ethyl acetate (141-78-6) (4)IC

Specification

98%

References
  1. (1) Ray, Sibdas; Journal of the Indian Chemical Society 2003, V80(11), P1037-1043 CAPLUS
  2. (2) Golankiewicz, Bozenna; Tetrahedron 1985, V41(24), P5989-94 CAPLUS
  3. (3) Cook, A. H.; Journal of the Chemical Society 1947, P1594-8 CAPLUS
  4. (4) Sen, A. K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1979, V17B(3), P222-5 CAPLUS
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