CAS 583-39-1

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2 End Use APIs
40 Related Intermediates

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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

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 Formula	C₇H₆N₂S
Molecular Weight	150.20 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	150.02516937 g/mol
Monoisotopic Mass	150.02516937 g/mol
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142
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