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CAS Number: 82294-70-0
4-methylthiazole-5-carbaldehyde

Structure

4-methylthiazole-5-carbaldehyde
Name: 4-methylthiazole-5-carbaldehyde
Synonyms:
General Information
Product Number: 82294700
CAS Registry Number: 82294-70-0
Name:
        5-​Thiazolecarboxaldehy​de, 4-​methyl-
        4-​Methyl-​5-​formyl-​1,​3-​thiazole; 4-​Methyl-​5-​formylthiazole; 4-​Methyl-​5-​thiazolecarboxaldehy​de 
 
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/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChIKey: JJVIEMFQPALZOZ-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC=N1)C=O
 
Thermal Properties Value Condition Note
Melting Point 75 °C   (5)CAS
Melting Point 74.8-75.2 °C Solv: ethyl acetate (141-78-6) (6)CAS
Melting Point 74.2-75.7 °C Solv: ethyl acetate (141-78-6) (7)CAS
Melting Point 73.5-75 °C   (2)CAS
Melting Point 72.5 °C   (8)CAS
Melting Point 68-70 °C   (3)CAS
 

Specification

98%

References
  1. (1) Hariri, Mouaffak Al; Journal of Organic Chemistry 1997, V62(2), P405-410 CAPLUS
  2. (2) Tanaka, Hideo; Bulletin of the Chemical Society of Japan 2004, V77(9), P1745-1755 CAPLUS
  3. (3) Dong, Min; Acta Crystallographica, Section E: Structure Reports Online 2005, V61(8), Po2712-o2713 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Buchman, Edwin R.; Journal of the American Chemical Society 1939, V61, P891-3 CAPLUS
  6. (6) Albanese, Domenico; Organic Process Research & Development 2008, V12(4), P736-739 CAPLUS
  7. (7) Hagiya, Kazutake; Synthesis 2003, (6), P823-828 CAPLUS
  8. (8) Harington, C. R.; Journal of the Chemical Society 1939, P443-6 CAPLUS
  9. (9) Campaigne, E.; Journal of Medicinal & Pharmaceutical Chemistry 1959, V1, P577-600 CAPLUS
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