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2D Structure
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

2D Structure

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 Weight 103.19 g/mol
Molecular Formula C4H9NS
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count6
Formal Charge0
Complexity34.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1