CAS 38585-74-9

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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

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 Formula	C₄H₅NOS
Molecular Weight	115.16 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	115.00918496 g/mol
Monoisotopic Mass	115.00918496 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	59.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1