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Overview of CAS 37052-78-1

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4CH-024268
PharmaCompass
4CH-024268
Also known as: 37052-78-1, 2-mercapto-5-methoxybenzimidazole, 5-methoxy-1h-benzo[d]imidazole-2-thiol, 5-methoxy-2-benzimidazolethiol, 5-methoxy-1h-benzimidazole-2-thiol, 5-methoxy-1h-1,3-benzodiazole-2-thiol
Molecular Formula
C8H8N2OS
Molecular Weight
180.225  g/mol
InChI Key
KOFBRZWVWJCLGM-UHFFFAOYSA-N
FDA UNII
143562LXX0

1 2D Structure

4CH-024268

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methoxy-1,3-dihydrobenzimidazole-2-thione
2.1.2 InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
2.1.3 InChI Key
KOFBRZWVWJCLGM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=C1)NC(=S)N2
2.2 Other Identifiers
2.2.1 UNII
143562LXX0
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 37052-78-1

2. 2-mercapto-5-methoxybenzimidazole

3. 5-methoxy-1h-benzo[d]imidazole-2-thiol

4. 5-methoxy-2-benzimidazolethiol

5. 5-methoxy-1h-benzimidazole-2-thiol

6. 5-methoxy-1h-1,3-benzodiazole-2-thiol

7. 2-mercapto-5-methoxy-1h-benzimidazole

8. 5-methoxy-1h-benzoimidazole-2-thiol

9. 1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione

10. 5-methoxybenzimidazole-2-thiol

11. 5-methoxy-1,3-dihydrobenzimidazole-2-thione

12. 2h-benzimidazole-2-thione, 1,3-dihydro-5-methoxy-

13. Mfcd00134581

14. 5-methoxy-2-thio-1h-benzimidazole

15. 5-methoxy-1h-benzimidazol-2-yl Hydrosulfide

16. 5-methoxy-2-thiohydroxy Benzimidazole

17. 5-methoxy-1,3-dihydro-2h-benzimidazole-2-thione

18. An-829/05700007

19. Unii-143562lxx0

20. Einecs 253-326-2

21. Pubchem7611

22. Acmc-209iqa

23. Maybridge1_006266

24. Ac1lde68

25. 5-methoxy-2benzimidazolethiol

26. Ksc495q4d

27. Mls000083176

28. 5-methoxy-2-benzimidazolthiol

29. Schembl916531

30. Ben498

31. Chembl1509639

32. Schembl16198394

33. 5-methoxybenzimidazolin-2-thione

34. Ctk3j5841

35. Hms559e18

36. 6-methoxy-2-mercaptobenzimidazole

37. Dtxsid20190558

38. 2-mercpato-5-methoxy Benzimdazole

39. Kofbrzwvwjclgm-uhfffaoysa-n

40. Molport-001-770-819

41. Molport-001-828-306

42. 2-mercapto-5-methoxybenzoimidazole

43. Bb_sc-1604

44. Hms2298p11

45. Zinc389869

46. 2-mercapto-5-methoxy Benzimidazole

47. Acn-s003373

48. Act07817

49. Albb-004065

50. Ks-000000xn

51. 5 -methoxy-2 -mercaptobenzimidazole

52. Anw-28544

53. Anw-71285

54. Bbl001438

55. Bbl011009

56. Ccg-42938

57. Cm-151

58. Cm0011

59. Hts001114

60. Sbb000219

61. Stk506487

62. Stk802141

63. 6-methoxy-1h-benzoimidazole-2-thiol

64. 5-methoxy-2-benzimidazolethiol, 99%

65. Akos000120845

66. Akos002657565

67. Akos023552903

68. 143562lxx0

69. 5-methoxy-(1h)-benzimidazole-2-thiol

70. 5-methoxy-2-mercapto-1h-benzimidazole

71. Ab03750

72. Ac-6273

73. An-1434

74. Cs-w008378

75. Mcule-1295752512

76. Ps-6231

77. Rp24176

78. Rtr-015087

79. 5-methoxyl-2-mercaptobenzimidazole

80. Aj-20989

81. Ak101104

82. Cj-03451

83. He001856

84. He207981

85. Kb-99186

86. Sc-03930

87. Smr000046769

88. St092446

89. Zb011915

90. Ab0011089

91. Ab0106321

92. Db-013211

93. Kb-105446

94. Kb-173404

95. Kb-173405

96. Kb-231080

97. Tc-160030

98. Tl8002732

99. Tr-015087

100. 4ch-024268

101. A6375

102. Am20040306

103. Bb 0240770

104. Ft-0612746

105. H2668

106. M1256

107. R2257

108. St24044831

109. 2-mercapto-5-methoxybenzimidazole, 99% 5g

110. 5-methoxy-1h-benzo[d]imidazole-2(3h)-thione

111. 052m781

112. Sr-01000534899

113. H 118/87

114. I01-0734

115. Sr-01000534899-1

116. Sr-01000534899-3

117. W-202531

118. 5(6)-hydroxy-2-mercaptobenzimidazole, Me Ether

119. Z221604426

120. 2h-benzimidazole-2-thione, 1,3-dihydro-5-methoxy- (9ci)

121. 5(6)-hydroxy-2-mercaptobenzimidazole, Methyl Ether

122. 2-mercapto-5-methoxybenzimidazole;esomeprazole Related Substance A;h118/87

123. 5-methoxy-1h-benzo[d]imidazole-2-thiol;5-methoxy-2-mercaptobenzimidazole

124. Omeprazole Related Compound B, United States Pharmacopeia (usp) Reference Standard

125. 5-methoxy-2- Benzimidazolethiol (omeprazole Related Compound B), Pharmaceutical??secondary??standard;??certified??reference??material

126. Inchi=1/c8h8n2os/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4h,1h3,(h2,9,10,12

2.4 Create Date
2005-06-29
3 Chemical and Physical Properties
Molecular Weight 180.225 g/mol
Molecular Formula C8H8N2OS
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass180.036 g/mol
Monoisotopic Mass180.036 g/mol
Topological Polar Surface Area65.4 A^2
Heavy Atom Count12
Formal Charge0
Complexity198
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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