1-Thia-4-azacyclohexane

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Also known as: 123-90-0, Thiamorpholine, Thiazolidinane, Parathiazan, Tetrahydro-1,4-thiazine, 1,4-thiazane

Molecular Formula

C₄H₉NS

Molecular Weight

103.19 g/mol

InChI Key

BRNULMACUQOKMR-UHFFFAOYSA-N

FDA UNII

3A8R61G6QV

1 2D Structure

CAS 123-90-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

thiomorpholine

2.1.2 InChI

InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2

2.1.3 InChI Key

BRNULMACUQOKMR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CSCCN1

2.2 Other Identifiers

2.2.1 UNII

3A8R61G6QV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Thiamorpholine

2. Thiamorpholine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 123-90-0

2. Thiamorpholine

3. Thiazolidinane

4. Parathiazan

5. Tetrahydro-1,4-thiazine

6. 1,4-thiazane

7. 1,4-thiazan

8. 1-thia-4-azacyclohexane

9. Mfcd00005974

10. Tetrahydro-2h-1,4-thiazine

11. Tetrahydro-4h-1,4-thiazine

12. 3a8r61g6qv

13. Chembl2333141

14. Chebi:36392

15. 4-thiomorpholine

16. Thiomopholine

17. Thiomorphline

18. Unii-3a8r61g6qv

19. Thio-morpholine

20. Einecs 204-660-2

21. Thiomorpholine, 98%

22. Thiamorpholine [mi]

23. Schembl2273

24. 1,4-thiazine, Tetrahydro-

25. Schembl9487277

26. Dtxsid80153826

27. Bdbm50428736

28. Stl193989

29. Akos005137922

30. Cs-w007359

31. Hy-w007359

32. Sb12744

33. Am807014

34. As-17826

35. Sy033134

36. Thiomorpholine, Purum, >=97.0% (gc)

37. Db-041751

38. Ns00024018

39. T1007

40. En300-33437

41. P10015

42. T-3790

43. A805163

44. Q1082882

45. F2158-0924

46. Inchi=1/c4h9ns/c1-3-6-4-2-5-1/h5h,1-4h

47. Z352252014

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NS
Molecular Weight	103.19 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	6
Formal Charge	0
Complexity	34.5
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

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