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  • Chemistry
CAS 107-96-0
Also known as: 3-mercaptopropanoic acid, 107-96-0, 3-sulfanylpropanoic acid, 3-thiopropionic acid, 3-thiopropanoic acid, Beta-mercaptopropionic acid
Molecular Formula
C3H6O2S
Molecular Weight
106.15  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 MeSH Synonyms

1. 3 Mercaptopropanoic Acid

2. 3 Mercaptopropionic Acid

3. 3-mercaptopropanoic Acid

4. Acid, 3-mercaptopropanoic

5. Acid, 3-mercaptopropionic

6. Beta Mercaptopropionate

7. Beta-mercaptopropionate

2.3.2 Depositor-Supplied Synonyms

1. 3-mercaptopropanoic Acid

2. 107-96-0

3. 3-sulfanylpropanoic Acid

4. 3-thiopropionic Acid

5. 3-thiopropanoic Acid

6. Beta-mercaptopropionic Acid

7. Mercaptopropionic Acid

8. Propanoic Acid, 3-mercapto-

9. 3mpa

10. 2-mercaptoethanecarboxylic Acid

11. Beta-thiopropionic Acid

12. Propionic Acid, 3-mercapto-

13. Hydracrylic Acid, 3-thio-

14. Thiohydracrylic Acid

15. Beta-mercaptopropanoic Acid

16. Nsc 437

17. .beta.-thiopropionic Acid

18. Unii-b03tj3qu9m

19. .beta.-mercaptopropionic Acid

20. 3-thiolpropanoic Acid

21. 3-thiohydracrylic Acid

22. 3-mercaptopropionicacid

23. 3-mercapto-propionic Acid

24. B03tj3qu9m

25. .beta.-mercaptopropanoic Acid

26. Chembl358697

27. Chebi:44111

28. Nsc-437

29. Propionic Acid, 3-mercpato-

30. Hsdb 5381

31. 3 Mercaptopropionic Acid

32. Einecs 203-537-0

33. Mfcd00004897

34. Mercaptopropionic Acid, 3-

35. Brn 0773807

36. Ai3-26090

37. Bmpa

38. Deamino Cysteine

39. Ss--thiopropionic Acid

40. 3-mercaptopropanic Acid

41. Sugammadex Impurity 60

42. Betamercaptopropionic Acid

43. 3-mercapto-propanoic Acid

44. Dsstox_cid_6775

45. Ss--mercaptopropanoic Acid

46. Ss--mercaptopropionic Acid

47. Ec 203-537-0

48. 3-sulfanylpropanoic Acid #

49. Schembl7289

50. Dsstox_rid_78211

51. Dsstox_gsid_26775

52. 4-03-00-00726 (beilstein Handbook Reference)

53. 3-mercaptopropanoic Acid, 9ci

54. Nsc437

55. 3-mercaptopropionic Acid, 98%

56. Dtxsid8026775

57. Fema No. 4587

58. 3-mercaptopropionic Acid, >=99%

59. Amy27767

60. Bcp16636

61. Str01222

62. Zinc3860582

63. Tox21_200194

64. Bdbm50121953

65. Mercaptopropionic Acid [inci]

66. Stl281859

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

68. Akos000121541

69. Ac-4722

70. At21041

71. Sb66313

72. 3-mercaptopropionic Acid [hsdb]

73. Ncgc00248556-01

74. Ncgc00257748-01

75. Bp-21405

76. Cas-107-96-0

77. Ft-0615955

78. Ft-0658630

79. M0061

80. 3-mercaptopropionic Acid, >=99.0% (hplc)

81. Propanoic Acid, 3-mercapto-, Coco Alkyl Esters

82. 3-dimethylamino-2-methylpropylchloridehydrochloride

83. A801785

84. J-512742

85. Q11751618

86. F2191-0215

87. 68307-97-1

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 106.15 g/mol
Molecular Formula C3H6O2S
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass106.00885060 g/mol
Monoisotopic Mass106.00885060 g/mol
Topological Polar Surface Area38.3 Ų
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

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. (See all compounds classified as Convulsants.)


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. (See all compounds classified as GABA Agents.)


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. (See all compounds classified as Enzyme Inhibitors.)


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