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CAS 107-96-0
PharmaCompass
CAS 107-96-0
Also known as: 3-mercaptopropanoic acid, 107-96-0, 3-sulfanylpropanoic acid, 3-thiopropanoic acid, 3-thiopropionic acid, Beta-mercaptopropionic acid
Molecular Formula
C3H6O2S
Molecular Weight
106.139  g/mol
InChI Key
DKIDEFUBRARXTE-UHFFFAOYSA-N
FDA UNII
B03TJ3QU9M

An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.
1 2D Structure

CAS 107-96-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-sulfanylpropanoic acid
2.1.2 InChI
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
2.1.3 InChI Key
DKIDEFUBRARXTE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CS)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
B03TJ3QU9M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3-mercaptopropanoic Acid

2. 107-96-0

3. 3-sulfanylpropanoic Acid

4. 3-thiopropanoic Acid

5. 3-thiopropionic Acid

6. Beta-mercaptopropionic Acid

7. Propanoic Acid, 3-mercapto-

8. 3mpa

9. 2-mercaptoethanecarboxylic Acid

10. Mercaptopropionic Acid

11. Beta-thiopropionic Acid

12. Hydracrylic Acid, 3-thio-

13. Propionic Acid, 3-mercapto-

14. Nsc 437

15. Beta-mercaptopropanoic Acid

16. Unii-b03tj3qu9m

17. Propionic Acid, 3-mercpato-

18. 3-thiolpropanoic Acid

19. 3-thiohydracrylic Acid

20. Hsdb 5381

21. Einecs 203-537-0

22. .beta.-thiopropionic Acid

23. Propanoicacid, 3-mercapto-

24. Brn 0773807

25. .beta.-mercaptopropionic Acid

26. Ai3-26090

27. Chembl358697

28. Chebi:44111

29. Dkidefubrarxte-uhfffaoysa-n

30. Mfcd00004897

31. Beta-mercaptopropionate

32. 3 Mercaptopropionic Acid

33. 3-mercaptopropionic

34. 3-mercaptopropanoicacid

35. 3-mercaptopropionicacid

36. 3-mercapto-propanoicaci

37. 3-mercapto-propionicaci

38. 3-mercaptopropanic Acid

39. 3-mercapto-propanoicacid

40. Betamercaptopropionic Acid

41. 3-mercapto-propanoic Acid

42. 3-mercapto-propionic Acid

43. Propionic Acid, Mercapto-

44. Acmc-1bxd5

45. Dsstox_cid_6775

46. Propanoic Acid, 3-mercapto

47. Proponoic Acid, 3-mercapto

48. 3-sulfanylpropanoic Acid #

49. Ac1l1mp4

50. Schembl7289

51. Usaf E-5

52. B03tj3qu9m

53. Dsstox_rid_78211

54. Dsstox_gsid_26775

55. .beta.-mercaptopropanoic Acid

56. 4-03-00-00726 (beilstein Handbook Reference)

57. Ksc176g1d

58. Nsc437

59. Jsp000698

60. Dtxsid8026775

61. Ctk0h6311

62. Nsc-437

63. Molport-003-938-024

64. Bb_sc-6437

65. 3-mercaptopropionic Acid, >=99%

66. Ebd13956

67. Zinc3860582

68. Tox21_200194

69. 7053af

70. Anw-15876

71. Bdbm50121953

72. Stl281859

73. Akos000121541

74. Ac-4722

75. Mcule-3211932163

76. Rp18864

77. Rtr-001887

78. 3-mercaptopropionic Acid, 99% 100g

79. Ks-0000015b

80. Ncgc00248556-01

81. Ncgc00257748-01

82. Ak305411

83. An-11679

84. Bc226809

85. Bp-21405

86. Cas-107-96-0

87. Kb-32414

88. Or034424

89. Sc-22642

90. Ls-124729

91. Ls-124730

92. Tr-001887

93. Ft-0615955

94. Ft-0658630

95. M0061

96. 3-mercaptopropionic Acid, >=99.0% (hplc)

97. I04-0418

98. I04-1038

99. J-512742

100. F2191-0215

101. Inchi=1/c3h6o2s/c4-3(5)1-2-6/h6h,1-2h2,(h,4,5

102. Thiopropionic Acid; 3-thiopropanoic Acid; Beta-mercaptopropionic Acid

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 106.139 g/mol
Molecular Formula C3H6O2S
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass106.009 g/mol
Monoisotopic Mass106.009 g/mol
Topological Polar Surface Area38.3 A^2
Heavy Atom Count6
Formal Charge0
Complexity52.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.


Convulsants

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.


GABA Agents

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.


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