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2D Structure
Also known as: 38585-74-9, Thiazol-5-ylmethanol, 5-(hydroxymethyl)thiazole, 5-thiazolemethanol, 1,3-thiazol-5-ylmethanol, Thiazole-5-methanol
Molecular Formula
C4H5NOS
Molecular Weight
115.16  g/mol
InChI Key
WKBQQWDVVHGWDB-UHFFFAOYSA-N
FDA UNII
73J5JZ943W

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-thiazol-5-ylmethanol
2.1.2 InChI
InChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
2.1.3 InChI Key
WKBQQWDVVHGWDB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(SC=N1)CO
2.2 Other Identifiers
2.2.1 UNII
73J5JZ943W
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 38585-74-9

2. Thiazol-5-ylmethanol

3. 5-(hydroxymethyl)thiazole

4. 5-thiazolemethanol

5. 1,3-thiazol-5-ylmethanol

6. Thiazole-5-methanol

7. Thiazol-5-yl-methanol

8. 5-thiazolylmethanol

9. (thiazol-5-yl)methanol

10. 5-hydroxymethyl Thiazole

11. 5-(hydroxymethyl)-1,3-thiazole

12. 73j5jz943w

13. Mfcd04115732

14. (1,3-thiazol-5-yl)methanol

15. Ec 414-780-9

16. Schembl27862

17. Unii-73j5jz943w

18. Dtxsid40376817

19. Act10945

20. Bcp21106

21. Zinc2527712

22. 5-(hydroxymethyl)thiazole, Aldrichcpr

23. Akos012051771

24. Ab20492

25. Ac-7854

26. As-5535

27. Cs-w013621

28. 5-(hydroxymethyl)-1,3-thiazole 98%

29. Bp-10955

30. Sy002035

31. Db-014538

32. Am20100025

33. Bb 0296190

34. Ft-0639481

35. T2779

36. A19609

37. 585h749

38. Q-200546

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 115.16 g/mol
Molecular Formula C4H5NOS
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass115.00918496 g/mol
Monoisotopic Mass115.00918496 g/mol
Topological Polar Surface Area61.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1