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CAS Number: 13139-47-4
2-acetylthiazole-4-carboxylic acid

Structure

2-acetylthiazole-4-carboxylic acid
Name: 2-acetylthiazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 13139474
CAS Number:
13139-47-4
Name:
4-Thiazolecarboxylicacid, 2-acetyl-
 
Chemical Formula: C6H5NO3S
Exact Mass: 171.00
Molecular Weight: 171.17
m/z: 171.00 (100.0%), 172.00 (7.8%), 172.99 (4.5%)
Elemental Analysis: C, 42.10; H, 2.94; N, 8.18; O, 28.04; S, 18.73
 
InChI: InChI=1S/C6H5NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10)
InChIKey: SQOJCKCNKKLIFE-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=NC(=CS1)C(=O)O
 
 
Thermal Properties Value Condition Note
Melting Point 193-195 °C   (3)CAS
Melting Point 190 °C   (1)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Hughes, Rachael A.; Journal of the American Chemical Society 2005, V127(44), P15644-15651 CAPLUS
  2. (2) Figueira, Valdemar B. C.; ARKIVOC (Gainesville, FL, United States) 2005, (14), P14-19 CAPLUS
  3. (3) Barton, Moira A.; Journal of the Chemical Society [Section] C: Organic 1966, (22), P2115-19 CAPLUS
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