CAS 147-93-3 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 2-mercaptobenzoic acid, 147-93-3, 2-sulfanylbenzoic acid, O-mercaptobenzoic acid, 2-thiosalicylic acid, O-thiosalicylic acid
Molecular Formula
C7H6O2S
Molecular Weight
154.19  g/mol
InChI Key
NBOMNTLFRHMDEZ-UHFFFAOYSA-N
FDA UNII
CIP6LXN5XW

CAS 147-93-3
1 2D Structure

CAS 147-93-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-sulfanylbenzoic acid
2.1.2 InChI
InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
2.1.3 InChI Key
NBOMNTLFRHMDEZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)S
2.2 Other Identifiers
2.2.1 UNII
CIP6LXN5XW
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-mercaptobenzoic Acid

2. 2-sulfanylbenzoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 2-mercaptobenzoic Acid

2. 147-93-3

3. 2-sulfanylbenzoic Acid

4. O-mercaptobenzoic Acid

5. 2-thiosalicylic Acid

6. O-thiosalicylic Acid

7. 2-carboxythiophenol

8. O-sulfhydrylbenzoic Acid

9. O-benzoic Acid Thiol

10. O-carboxythiophenol

11. Benzoic Acid, 2-mercapto-

12. O-mercaptobenzoesaeure

13. Benzoic Acid, O-mercapto-

14. Benzoic Acid, Mercapto-

15. Salicylic Acid, 2-thio-

16. 2-mercapto-benzoic Acid

17. Usaf Kf-2

18. Usaf Xr-35

19. Thiophenol-2-carboxylic Acid

20. Mfcd00004836

21. Usaf Ek-t-2805

22. Nsc 2184

23. Thiosalicylate

24. Nsc 660640

25. Cip6lxn5xw

26. Chebi:59124

27. Nsc2184

28. Nsc-2184

29. Nsc660640

30. Nsc-660640

31. Ncgc00018107-04

32. Dsstox_cid_28958

33. Dsstox_rid_83223

34. Dsstox_gsid_49032

35. Cas-147-93-3

36. O-mercaptobenzoesaeure [german]

37. Hsdb 2739

38. Unii-cip6lxn5xw

39. Einecs 205-704-3

40. Brn 0508507

41. Ai3-23963

42. Thiosalicyclic Acid

43. 2-thiobenzoic Acid

44. Jke

45. Pirosal (tn)

46. Thiocyl (tn)

47. 2-mercaptobenzoicacid

48. O-mercapto Benzoic Acid

49. O-mercapto-benzoic-acid

50. Wln: Shr Bvq

51. 2-sulfanylbenzoic Acid #

52. Thiosalicylic Acid, 97%

53. Thiosalicylic Acid, 98%

54. Schembl50376

55. 4-10-00-00272 (beilstein Handbook Reference)

56. Mls000069414

57. Chembl119888

58. Thiosalicylic Acid [mi]

59. Dtxsid4049032

60. Thiosalicylic Acid [inci]

61. Zinc284503

62. Amy32527

63. Str00467

64. Thiosalicylic Acid [who-dd]

65. 2-thiosalicylic Acid [hsdb]

66. Tox21_113560

67. Stl163871

68. Akos000119389

69. Tox21_113560_1

70. At20777

71. Cs-w020627

72. Db14026

73. Ncgc00018107-01

74. Ncgc00018107-02

75. Ncgc00018107-03

76. Ncgc00018107-05

77. Ncgc00022652-03

78. Thiosalicylic Acid [usp Impurity]

79. Smr000059130

80. Sy007814

81. Ft-0652823

82. M0054

83. A19452

84. D08586

85. J-008427

86. J-524965

87. Q1312775

88. Brd-k36998189-001-01-9

89. F2191-0258

90. Z1270312072

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 154.19 g/mol
Molecular Formula C7H6O2S
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass154.00885060 g/mol
Monoisotopic Mass154.00885060 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty