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CAS Number: 20582-55-2
ethyl 4-methylthiazole-5-carboxylate

Structure

ethyl 4-methylthiazole-5-carboxylate
Name: ethyl 4-methylthiazole-5-carboxylate
Synonyms:
General Information
Product Number: 20582552
CAS Registry Number: 20582-55-2
Name:
        5-​Thiazolecarboxylic acid, 4-​methyl-​, ethyl ester
        4-​Methyl-​5-​(ethoxycarbonyl)​thiazole; 4-​Methylthiazole-​5-​carboxylic acid ethyl ester; Ethyl 4-​methylthiazole-​5-​carboxylate; NSC 170824 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3
InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=CS1)C
 
Thermal Properties Value Condition Note
Boiling Point 230-236 °C   (1)CAS
Melting Point 27-28 °C   (4)CAS

Specification

98%

References
  1. (1) Ganapathi, K.; Proceedings - Indian Academy of Sciences, Section A 1945, V22A, P362-78 CAPLUS
  2. (2) Barton, Anne; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (1), P159-64 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Tomlinson, M. L.; Journal of the Chemical Society 1935, P1030-1 CAPLUS
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