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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

CAS 38585-74-9
1 2D Structure

CAS 38585-74-9

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

BUILDING BLOCK

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