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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

CAS 6160-65-2
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 Weight 178.22 g/mol
Molecular Formula C7H6N4S
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass178.03131738 g/mol
Monoisotopic Mass178.03131738 g/mol
Topological Polar Surface Area67.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity166
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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