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Also known as: 95-16-9, Benzo[d]thiazole, 1,3-benzothiazole, Benzosulfonazole, 1-thia-3-azaindene, Vangard bt
Molecular Formula
C7H5NS
Molecular Weight
135.19  g/mol
InChI Key
IOJUPLGTWVMSFF-UHFFFAOYSA-N
FDA UNII
G5BW2593EP

CAS 95-16-9
Benzothiazole is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

CAS 95-16-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-benzothiazole
2.1.2 InChI
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
2.1.3 InChI Key
IOJUPLGTWVMSFF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)N=CS2
2.2 Other Identifiers
2.2.1 UNII
G5BW2593EP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 95-16-9

2. Benzo[d]thiazole

3. 1,3-benzothiazole

4. Benzosulfonazole

5. 1-thia-3-azaindene

6. Vangard Bt

7. Benzothiazol

8. Usaf Ek-4812

9. Fema No. 3256

10. Chebi:45993

11. Fema Number 3256

12. C7h5ns

13. O-2857

14. Ccris 7893

15. Hsdb 2796

16. Nsc 8040

17. Einecs 202-396-2

18. Brn 0109468

19. Unii-g5bw2593ep

20. Ai3-05742

21. G5bw2593ep

22. Dtxsid7024586

23. Nsc-8040

24. Ec 202-396-2

25. 4-27-00-01069 (beilstein Handbook Reference)

26. Dtxcid204586

27. Benzthiazole

28. Cas-95-16-9

29. Mfcd00005775

30. Benzotiazol

31. Benzothiazol-

32. Benzothiazole-

33. S-benzothiazole

34. Benzothiazole, 96%

35. 1,3-benzothiazole #

36. Benzothiazole [mi]

37. D07nyx

38. Epitope Id:138946

39. Schembl8430

40. Benzothiazole [fhfi]

41. Benzothiazole [hsdb]

42. Wln: T56 Bn Dsj

43. Mls001050134

44. Benzothiazole, >=96%, Fg

45. Chembl510309

46. Schembl9304593

47. Nsc8040

48. Benzothiazole, Analytical Standard

49. Amy23315

50. Tox21_201853

51. Tox21_303232

52. Bdbm50444460

53. Lt0034

54. Stl268890

55. Akos000120178

56. Ac-3297

57. Cs-w013350

58. Fs-4155

59. Hy-w012634

60. Ls-1973

61. Ncgc00091399-01

62. Ncgc00091399-02

63. Ncgc00257070-01

64. Ncgc00259402-01

65. Bot

66. Smr001216577

67. B0092

68. Ft-0622731

69. Ft-0662581

70. Benzothiazole, Vetec(tm) Reagent Grade, 96%

71. En300-19148

72. D77749

73. Ac-907/25014160

74. Q419096

75. Q-100900

76. F0001-2268

77. Z104472964

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 135.19 g/mol
Molecular Formula C7H5NS
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area41.1
Heavy Atom Count9
Formal Charge0
Complexity105
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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