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Synopsis

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Also known as: Trithiozine, Tresanil, 35619-65-9, Sulmetozine, Tritiozine [inn], Tritiozina

Molecular Formula

C₁₄H₁₉NO₄S

Molecular Weight

297.37 g/mol

InChI Key

MVOUIYUWRXPNKD-UHFFFAOYSA-N

FDA UNII

93VJ1QVD6V

1 2D Structure

Trithiozine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione

2.1.2 InChI

InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3

2.1.3 InChI Key

MVOUIYUWRXPNKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOCC2

2.2 Other Identifiers

2.2.1 UNII

93VJ1QVD6V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(3,4,5-trimethoxythiobenzoyl)tetrahydro-1,4-oxazine

2. Isf-2001

3. Tresanil

4. Trithiozine

2.3.2 Depositor-Supplied Synonyms

1. Trithiozine

2. Tresanil

3. 35619-65-9

4. Sulmetozine

5. Tritiozine [inn]

6. Tritiozina

7. 4-(3,4,5-trimethoxythiobenzoyl)morpholine

8. Isf 2001

9. Morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione

10. 4-(thioxo(3,4,5-trimethoxyphenyl)methyl)morpholine

11. 93vj1qvd6v

12. 4-(3,4,5-trimethoxythiobenzoyl)tetrahydro-1,4-oxazine

13. Morpholine, 4-(3,4,5-trimethoxythiobenzoyl)-

14. Sulmetozine; Tresanil; Trithiozine

15. Ncgc00160503-01

16. Tritiozina [italian]

17. Morpholino(3,4,5-trimethoxyphenyl)methanethione

18. Dsstox_cid_26195

19. Dsstox_rid_81426

20. Dsstox_gsid_46195

21. Morpholine, 4-(thioxo(3,4,5-trimethoxyphenyl)methyl)-

22. Morpholine, 4-[thioxo(3,4,5-trimethoxyphenyl)methyl]-

23. Tritiozinum

24. Tritiozinum [inn-latin]

25. Tritiozina [inn-spanish]

26. Cas-35619-65-9

27. Einecs 252-645-4

28. Unii-93vj1qvd6v

29. Brn 1222876

30. Tritiozin

31. Trithiozine [mi]

32. Tritiozine [mart.]

33. Tritiozine [who-dd]

34. Oprea1_835165

35. Zinc814

36. Mls000769479

37. Schembl1170764

38. Chembl1414826

39. Dtxsid0046195

40. Chebi:135255

41. Hms2778a14

42. Tox21_111860

43. Stk877639

44. Akos000348286

45. Tox21_111860_1

46. Ncgc00160503-02

47. Smr000434192

48. Hy-108287

49. Cs-0028146

50. Eu-0015333

51. 6,7-dihydrodibenzo[a,d][8]annulen-12(5h)-one

52. Sr-01000085104

53. Morpholin-4-yl(3,4,5-trimethoxyphenyl)methanethione

54. Sr-01000085104-1

55. 4-[(3,4,5-trimethoxyphenyl)carbonothioyl]morpholine

56. Q27271612

57. 4-(3,4,5-trimethoxybenzenecarbothioyl)morpholine

58. F0919-4349

59. Morpholin-4-yl-(3,4,5-trimethoxy-phenyl)-methanethione

60. Morpholine, 4-(thioxo(3,4,5-trimethyloxyphenyl)methyl)-

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉NO₄S
Molecular Weight	297.37 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	297.10347926 g/mol
Monoisotopic Mass	297.10347926 g/mol
Topological Polar Surface Area	72.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	308
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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