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2D Structure
Also known as: 82294-70-0, 4-methylthiazole-5-carbaldehyde, 4-methyl-5-thiazolecarboxaldehyde, 4-methyl-1,3-thiazole-5-carbaldehyde, 4-methyl-5-thiazolecarbaldehyde, 5-formyl-4-methylthiazole
Molecular Formula
C5H5NOS
Molecular Weight
127.17  g/mol
InChI Key
JJVIEMFQPALZOZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methyl-1,3-thiazole-5-carbaldehyde
2.1.2 InChI
InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
2.1.3 InChI Key
JJVIEMFQPALZOZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(SC=N1)C=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 82294-70-0

2. 4-methylthiazole-5-carbaldehyde

3. 4-methyl-5-thiazolecarboxaldehyde

4. 4-methyl-1,3-thiazole-5-carbaldehyde

5. 4-methyl-5-thiazolecarbaldehyde

6. 5-formyl-4-methylthiazole

7. 4-methylthiazole-5-aldehyde

8. 5-thiazolecarboxaldehyde, 4-methyl-

9. 4-methyl-thiazole-5-carbaldehyde

10. Mfcd07368277

11. 4-methyl-5-thiazolaldehyde

12. Schembl363540

13. 4-methylthiazol-5-carboaldehyde

14. Dtxsid50342386

15. Albb-006041

16. Geo-01943

17. Stk392203

18. Zinc12959076

19. Akos000265234

20. Ac-5584

21. Bs-3762

22. Cs-w011148

23. 4-methylthiazole-5-carboxaldehyde, 97%

24. 4-methyl-1,3-thiazole-5-carbaldehyde #

25. Sy021358

26. Db-028974

27. Am20100799

28. Bb 0259236

29. Ft-0641858

30. M1812

31. En300-93121

32. 94m700

33. 4-methyl-1,3-thiazole-5-carboxaldehyde

34. A840295

35. A864432

36. Q-100839

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 127.17 g/mol
Molecular Formula C5H5NOS
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass127.00918496 g/mol
Monoisotopic Mass127.00918496 g/mol
Topological Polar Surface Area58.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1