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CAS Number: 91516-28-8
1-(thiazol-5-yl)ethanone

Structure

1-(thiazol-5-yl)ethanone
Name: 1-(thiazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 91516288
CAS Registry Number: 91516-28-8
Name:
Ethanone, 1-​(5-​thiazolyl)​-
Ketone, methyl 5-​thiazolyl (6CI); 1-​(Thiazol-​5-​yl)​ethanone; 5-​Acetylthiazole 
 
Chemical Formula: C5H5NOS
Exact Mass: 127.01
Molecular Weight: 127.16
m/z: 127.01 (100.0%), 128.01 (6.6%), 129.00 (4.5%)
Elemental Analysis: C, 47.23; H, 3.96; N, 11.01; O, 12.58; S, 25.22
 
InChI: InChI=1S/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
InChIKey: DBNLYQBYTOYCGO-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CN=CS1
 
Thermal Properties Value Condition Note
Melting Point 68-70 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (1)IC
Melting Point 64.5-65.5 °C   (3)CAS

Specification

98%

References
  1. (1) Dondoni, Alessandro; Journal of Organic Chemistry 1988, V53(8), P1748-61 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Kochetkov, N. K.; Zhurnal Obshchei Khimii 1959, V29, P2330-7 CAPLUS
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