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Overview of CAS 6160-65-2

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4CH-014217
PharmaCompass
  • Chemistry
4CH-014217
Also known as: 1,1'-thiocarbonyldiimidazole, 6160-65-2, Thiocarbonyldiimidazole, N,n'-thiocarbonyldiimidazole, Di(1h-imidazol-1-yl)methanethione, 1,1-thiocarbonyldiimidazole
Molecular Formula
C7H6N4S
Molecular Weight
178.213  g/mol
InChI Key
RAFNCPHFRHZCPS-UHFFFAOYSA-N

1 2D Structure

4CH-014217

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1,1'-thiocarbonyldiimidazole

2. 6160-65-2

3. Thiocarbonyldiimidazole

4. N,n'-thiocarbonyldiimidazole

5. Di(1h-imidazol-1-yl)methanethione

6. 1,1-thiocarbonyldiimidazole

7. N,n'-thiocarbonyldiimidazole(tcdi)

8. 1h-imidazole, 1,1'-carbonothioylbis-

9. N,n-thiocarbonyldiimidazole

10. 1,1'-carbonothioylbis-1h-imidazole

11. Thiocarbonylbisimidazole

12. 1,1'-thiocarbonylbis(imidazole)

13. 1,1'-thiocarbonyl Diimidazole

14. Ai3-62351

15. 1,1'-(thiocarbonyl)diimidazole

16. Di-1h-imidazol-1-ylmethanethione

17. Rafncphfrhzcps-uhfffaoysa-n

18. 1,1'-carbonothioylbis(1h-imidazole)

19. 1-(imidazole-1-carbothioyl)imidazole

20. Mfcd00005289

21. 1-(1h-imidazole-1-carbothioyl)-1h-imidazole

22. 1-(1h-imidazol-1-ylcarbothioyl)-1h-imidazole

23. 1-[(1h-imidazol-1-yl)carbothioyl]-1h-imidazole

24. 1,1 -thiocarbonyldiimidazole

25. Di-1h-imidazol-1-ylmethanthion

26. Einecs 228-183-4

27. Imidazole, 1,1'-(thiocarbonyl)di-

28. Thiocarbonyidiimidazol

29. Thiocarbonyldiimidazol

30. Thiocarbonyldimidazole

31. Nsc141692

32. Tcdi

33. Thiocarbonyidiimidazole

34. Thio-carbonyldiimidazole

35. Pubchem15740

36. 1-thiocarbonyidiimidazole

37. Thiocarbonyl Diimidazole;

38. Ac1q7ehj

39. Ac1q7eir

40. Acmc-1b2rd

41. 1,1-thiocarbonyidiimidazole

42. Ac1l2z3p

43. Diimidazolylmethane-1-thione

44. 1,1'-thiocarbonyldiimidazol

45. Schembl25270

46. 1,1;-thiocarbonyldiimidazole

47. Bis(1-imidazolyl) Thioketone

48. Ksc490o7b

49. 1,1 '-thiocarbonyldiimidazole

50. 1,1'-thiocarbonyl-diimidazole

51. 1,1 ?thiocarbonyldiimidazole

52. 1,1''-thiocarbonyldiimidazole

53. Di-imidazol-1-yl-methanethione

54. Di -imidazol-1-yl-methanethione

55. Di-imidazol -1-yl-methanethione

56. Di-imidazol-1-yl -methanethione

57. Imidazole,1'-(thiocarbonyl)di-

58. Ctk3j0770

59. Di-1h-imidazol-1-ylmethanethion

60. Ks-00000lkb

61. Rafncphfrhzcps-uhfffaoysa-

62. Dtxsid70210614

63. Molport-001-768-928

64. N,n-thiocarbonyldiimidazole(tcdi)

65. Zinc156304

66. 1h-imidazole,1'-carbonothioylbis-

67. 1,1-carbonothioylbis-1h-imidazole

68. Act01999

69. Ebd54820

70. 1,1'-thiocarbonyldi(1h-imidazole)

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

72. 1,1'-thiocarbonylbis[1h-imidazole]

73. Anw-33883

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

75. Ct-184

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

77. Akos005206955

78. 1,1'-carbonothioyl Bis(1h-imidazole)

79. Ac-1467

80. Cs-w009143

81. Ls40088

82. Mcule-3079308718

83. Nsc-141692

84. Rp23963

85. Rtr-021214

86. Tra0098358

87. Vi10017

88. 1,1'-thiocarbonyl-bis-[1h-imidazole]

89. Aj-13767

90. Ak-26186

91. An-14896

92. As-11837

93. Bc216080

94. Br-26186

95. Cj-01498

96. Kb-86401

97. Sc-15874

98. Zb006286

99. Ab0010837

100. Ab1003539

101. Db-018703

102. St2414700

103. Tl8003902

104. Tr-021214

105. 4ch-014217

106. Bg01505031

107. Ft-0606161

108. St50308617

109. 1,1'-thiocarbonyldiimidazole, >=95.0% (s)

110. 40580a

111. M-2652

112. 1-(1h-imidazol-1-ylcarbonothioyl)-1h-imidazole

113. 79053-ep2305696a2

114. 79053-ep2305697a2

115. 79053-ep2305698a2

116. 115842-ep2272822a1

117. 115842-ep2275404a1

118. 115842-ep2289510a1

119. 115842-ep2295416a2

120. 115842-ep2298748a2

121. 160t652

122. 1,1'-thiocarbonyldiimidazole, Technical Grade, 90%

123. W-105122

124. 1,1 Inverted Exclamation Mark -thiocarbonyldiimidazole

125. 1,1'-thiocarbonyldiimidazole, Technical, >=90% (s)

126. 1,1'-thiocarbonyldiimidazole, Technical, 90% 10g

127. I14-22667

128. Inchi=1/c7h6n4s/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 178.213 g/mol
Molecular Formula C7H6N4S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass178.031 g/mol
Monoisotopic Mass178.031 g/mol
Topological Polar Surface Area67.7 A^2
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
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