CAS 6160-65-2

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Also known as: 6160-65-2, Thiocarbonyldiimidazole, Di(imidazol-1-yl)methanethione, N,n'-thiocarbonyldiimidazole, Di(1h-imidazol-1-yl)methanethione, 1,1-thiocarbonyldiimidazole

Molecular Formula

C₇H₆N₄S

Molecular Weight

178.22 g/mol

InChI Key

RAFNCPHFRHZCPS-UHFFFAOYSA-N

FDA UNII

H8A75XB5AY

1 2D Structure

CAS 6160-65-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

di(imidazol-1-yl)methanethione

2.1.2 InChI

InChI=1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

2.1.3 InChI Key

RAFNCPHFRHZCPS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN(C=N1)C(=S)N2C=CN=C2

2.2 Other Identifiers

2.2.1 UNII

H8A75XB5AY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6160-65-2

2. Thiocarbonyldiimidazole

3. Di(imidazol-1-yl)methanethione

4. N,n'-thiocarbonyldiimidazole

5. Di(1h-imidazol-1-yl)methanethione

6. 1,1-thiocarbonyldiimidazole

7. 1h-imidazole, 1,1'-carbonothioylbis-

8. N,n-thiocarbonyldiimidazole

9. Thiocarbonylbisimidazole

10. 1,1'-thiocarbonylbis(imidazole)

11. Mfcd00005289

12. Tcdi

13. Di-1h-imidazol-1-ylmethanethione

14. 1,1'-carbonothioylbis-1h-imidazole

15. H8a75xb5ay

16. 1,1'-thiocarbonyl Diimidazole

17. Ai3-62351

18. 1,1'-(thiocarbonyl)diimidazole

19. 1-(1h-imidazol-1-ylcarbothioyl)-1h-imidazole

20. 1,1'-carbonothioylbis(1h-imidazole)

21. Methanethione, Di-1h-imidazol-1-yl-

22. Nsc-141692

23. 1,1 Inverted Exclamation Mark -thiocarbonyldiimidazole

24. N,n'-thiocarbonyldiimidazole(tcdi)

25. Einecs 228-183-4

26. Imidazole, 1,1'-(thiocarbonyl)di-

27. Thiocarbonyidiimidazol

28. Thiocarbonyldiimidazol

29. Thiocarbonyldimidazole

30. Nsc141692

31. Thiocarbonyidiimidazole

32. Thio-carbonyldiimidazole

33. 1-thiocarbonyidiimidazole

34. 1,1-thicarbonyldiimidazole

35. Unii-h8a75xb5ay

36. 1,1-thiocarbonyidiimidazole

37. Diimidazol-1-ylmethanethione

38. 1,1'-thiocarbonyldiimidazol

39. 1,1'-thicarbonyldiimidazole

40. 1-[(1h-imidazol-1-yl)carbothioyl]-1h-imidazole

41. Schembl25270

42. 1,1`-thiocarbonyldiimidazole

43. Bis(1-imidazolyl) Thioketone

44. 1,1 '-thiocarbonyldiimidazole

45. 1,1'-thiocarbonyl-diimidazole

46. 1,1''-thiocarbonyldiimidazole

47. Di-imidazol-1-yl-methanethione

48. Di -imidazol-1-yl-methanethione

49. Di-imidazol -1-yl-methanethione

50. Di-imidazol-1-yl -methanethione

51. Imidazole,1'-(thiocarbonyl)di-

52. Di-1h-imidazol-1-ylmethanethion

53. Rafncphfrhzcps-uhfffaoysa-

54. Dtxsid70210614

55. N,n-thiocarbonyldiimidazole(tcdi)

56. Zinc156304

57. 1h-imidazole,1'-carbonothioylbis-

58. 1,1'-thiocarbonyldimidazole

59. Act01999

60. Bcp26059

61. Di-(1h-imidazol-1-yl)methanethione

62. 1,1'-thiocarbonylbis[1h-imidazole]

63. Bis(1h-imidazol-1-yl)-methanethione

64. Di-(1h-imidazol-1-yl) Methanethione

65. Akos005206955

66. 1,1'-carbonothioyl Bis(1h-imidazole)

67. Ac-1467

68. Cs-w009143

69. Nsc 141692

70. 1,1'-thiocarbonyl-bis-[1h-imidazole]

71. Trans-4-propylcyclohexyl-4-benzonitrile

72. As-11837

73. Sy002677

74. Db-018703

75. Ft-0606161

76. 1-(1h-imidazole-1-carbothioyl)-1h-imidazole

77. 1,1'-thiocarbonyldiimidazole, >=95.0% (s)

78. 1-(1h-imidazol-1-ylcarbonothioyl)-1h-imidazole

79. 10.14272/rafncphfrhzcps-uhfffaoysa-n.1

80. 160t652

81. 1,1'-thiocarbonyldiimidazole, Technical Grade, 90%

82. 1,1'-thiocarbonyldiimidazole;thiocarbonyldiimidazole

83. Doi:10.14272/rafncphfrhzcps-uhfffaoysa-n.1

84. Q2161003

85. W-105122

86. 1,1'-thiocarbonyldiimidazole, Technical, >=90% (s)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆N₄S
Molecular Weight	178.22 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.03131738 g/mol
Monoisotopic Mass	178.03131738 g/mol
Topological Polar Surface Area	67.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166
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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