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Also known as: 583-39-1, 1h-benzoimidazole-2-thiol, 2-benzimidazolethiol, 1h-benzimidazole-2-thiol, 1h-benzo[d]imidazole-2-thiol, Antioxidant mb
Molecular Formula
C7H6N2S
Molecular Weight
150.20  g/mol
InChI Key
YHMYGUUIMTVXNW-UHFFFAOYSA-N
FDA UNII
619CVM6HOK

CAS 583-39-1
1 2D Structure

CAS 583-39-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-dihydrobenzimidazole-2-thione
2.1.2 InChI
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
2.1.3 InChI Key
YHMYGUUIMTVXNW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)NC(=S)N2
2.2 Other Identifiers
2.2.1 UNII
619CVM6HOK
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-mercaptobenzimidazole, Monosodium Salt

2. 2-mercaptobenzimidazole, Zinc (2:1) Salt

2.3.2 Depositor-Supplied Synonyms

1. 583-39-1

2. 1h-benzoimidazole-2-thiol

3. 2-benzimidazolethiol

4. 1h-benzimidazole-2-thiol

5. 1h-benzo[d]imidazole-2-thiol

6. Antioxidant Mb

7. 134469-07-1

8. O-phenylenethiourea

9. Mercaptobenzimidazole

10. Benzimidazole-2-thiol

11. 2h-benzimidazole-2-thione, 1,3-dihydro-

12. 1,3-dihydrobenzimidazole-2-thione

13. 1,3-dihydro-2h-benzimidazole-2-thione

14. 2-mercaptobenzoimidazole

15. Antiegene Mb

16. Antigene Mb

17. Antigen Mb

18. 2-mercapto Benzimidazole

19. Permanax 21

20. 2-thiobenzimidazole

21. Mercaptobenzoimidazole

22. Aomb

23. 2-thiol Benzimidazole

24. 2-benzimidazolinethione

25. Asm Mb

26. Merkaptobenzimidazol

27. Nci-c56268

28. Usaf Xf-21

29. Usaf Ek-6540

30. Benzimidazoline-2-thione

31. Nci-c60980

32. 2-mercapto-1h-benzimidazole

33. 2-mercapto-benzimidazole

34. 5468-83-7

35. Lansoprazole Ep Impurity E

36. 619cvm6hok

37. 2-mercaptobenzimidazole, 98%

38. Rabeprazole Related Compound C

39. 1,3-dihydro-2h-benzo[d]imidazole-2-thione

40. Anitiegene Mb

41. 1h-benzo[d]imidazole-2(3h)-thione

42. Nsc-21414

43. Nsc-186246

44. Dsstox_cid_5536

45. Benzimidazolethiol

46. Dsstox_rid_77821

47. Dsstox_gsid_25536

48. Wln: T56 Bmymj Cus

49. Wln: T56 Bm Dnj Csh

50. Antioxidant Mb [czech]

51. Merkaptobenzimidazol [czech]

52. Cas-583-39-1

53. 2-benzimidazolinthion [czech]

54. 2-benzimidazolinthion

55. 2-merkaptobenzimidazol [czech]

56. Ccris 4837

57. 2-benzimidazole Thiol

58. 2-merkaptobenzimidazol

59. Einecs 209-502-6

60. Nsc 21414

61. Unii-619cvm6hok

62. Nsc 186246

63. Ai3-18633

64. 2mercaptobenzimidazole

65. 2-mercaptobenzimidazol

66. Rubber Antioxidant Mb

67. 2-sulfanylbenzimidazole

68. Starbld0019593

69. Maybridge1_006897

70. 1h-benzoimidazol-2-thiol

71. 2(3h)-benzimidazolethione

72. Ec 209-502-6

73. 2-mercapto-1h-benzimidazol

74. Schembl36857

75. Mls000420224

76. 2-mercapto-1 H-benzimidazole

77. Bidd:gt0154

78. Chembl70141

79. 1h-1,3-benzodiazole-2-thiol

80. Schembl1236095

81. Schembl1872555

82. 1h-benzimidazole-2(3h)-thione

83. Dtxsid9025536

84. Hms561b11

85. Mercaptobenzimidazole, 2-

86. 2-benzimidazolethiol [mi]

87. Hms2671c17

88. Bcp21899

89. Nsc21414

90. 1,3-dihydro-benzimidazole-2-thione

91. Tox21_201828

92. Tox21_303274

93. Bbl011714

94. Bbl023512

95. Bdbm50570899

96. Ccg-47778

97. Mfcd00005593

98. Nsc186246

99. Stk394298

100. Stl294808

101. Zinc12341568

102. Akos000119126

103. Akos016371491

104. Ac-6272

105. Am90365

106. Cs-w023180

107. Fs-2658

108. Ncgc00091164-01

109. Ncgc00091164-02

110. Ncgc00257094-01

111. Ncgc00259377-01

112. Smr000322777

113. 2-benzimidazolethiol; Benzimidazole-2-thiol

114. 2-mercaptobenzimidazole, Analytical Standard

115. Db-042239

116. Db-053189

117. Mercaptobenzimidazole [usp Impurity]

118. B0055

119. Bb 0242024

120. Ft-0612739

121. Ft-0643221

122. Ft-0671082

123. Lansoprazole Impurity E [ep Impurity]

124. Rabeprazole Related Compound C [usp-rs]

125. W11093

126. 988b106

127. A930054

128. Ah-034/32845023

129. S 00965

130. J-504656

131. Q-101102

132. Rabeprazole Sodium Impurity F [ep Impurity]

133. Sr-01000637371-1

134. Q16004147

135. Rabeprazole Related Compound C [usp Impurity]

136. F0074-0053

137. Rabeprazole Related Compound C, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.20 g/mol
Molecular Formula C7H6N2S
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass150.02516937 g/mol
Monoisotopic Mass150.02516937 g/mol
Topological Polar Surface Area56.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity142
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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