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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 96-27-5, Monothioglycerol, 1-thioglycerol, 3-mercaptopropane-1,2-diol, Thioglycerol, Thioglycerin

Molecular Formula

C₃H₈O₂S

Molecular Weight

108.16 g/mol

InChI Key

PJUIMOJAAPLTRJ-UHFFFAOYSA-N

FDA UNII

AAO1P0WSXJ

1 2D Structure

3-Mercapto-1,2-Propanediol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-sulfanylpropane-1,2-diol

2.1.2 InChI

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

2.1.3 InChI Key

PJUIMOJAAPLTRJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C(CS)O)O

2.2 Other Identifiers

2.2.1 UNII

AAO1P0WSXJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-thioglycerol

2. Mercaptoglycerol

3. Monothioglycerol

4. Thioglycerol

5. Thioglycerol Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 96-27-5

2. Monothioglycerol

3. 1-thioglycerol

4. 3-mercaptopropane-1,2-diol

5. Thioglycerol

6. Thioglycerin

7. Alpha-thioglycerol

8. Thioglycerine

9. Thiovanol

10. 3-sulfanylpropane-1,2-diol

11. Glycerol-1-thiol

12. 1-mercaptoglycerol

13. 1-monothioglycerol

14. Monothioglycerin

15. 2,3-dihydroxypropanethiol

16. Alpha-thiolglycerol

17. 1,2-propanediol, 3-mercapto-

18. 1-mercapto-2,3-propanediol

19. Glycerol, 1-thio-

20. 1-thio-2,3-propanediol

21. Usaf Cb-37

22. Usaf B-40

23. 3-mercapto-1,2-propanediole

24. .alpha.-thioglycerol

25. Nsc 5370

26. .alpha.-thiolglycerol

27. Monothioglycerol [nf]

28. Aao1p0wsxj

29. .alpha.-monothioglycerol

30. Chebi:74537

31. Alpha-monothioglycerol

32. Nsc-5370

33. Monothioglycerol (nf)

34. Ncgc00165973-01

35. Dsstox_cid_26512

36. Dsstox_rid_81681

37. Dsstox_gsid_46512

38. Cas-96-27-5

39. Dl-1-thioglycerol

40. 3-mercapto-propane-1,2-diol

41. 1-thio-dl-glycerol

42. Hsdb 2184

43. Unii-aao1p0wsxj

44. Einecs 202-495-0

45. Brn 1732046

46. Ai3-25462

47. Mfcd00004879

48. 1, 3-mercapto-

49. Starbld0004819

50. Thioglycerol [mi]

51. 3-thiopropane-1,2-diol

52. Wln: Sh1yq1q

53. Thioglycerin [inci]

54. Schembl4462

55. 1-thioglycerol, >=97%

56. Thioglycerol [vandf]

57. Monothioglycerol [ii]

58. 3-01-00-02339 (beilstein Handbook Reference)

59. 2,3-dihydroxy-1-propanethiol

60. Monothioglycerol [hsdb]

61. Monothioglycerol [vandf]

62. 3-sulfanyl-1,2-propanediol #

63. Chembl1398948

64. Dtxsid5046512

65. Monothioglycerol [mart.]

66. Nsc5370

67. 1-thioglycerol, Bioxtra, >=97%

68. Tox21_112276

69. Tox21_202881

70. 1-thioglycerol, >=99.0% (gc)

71. Akos015856773

72. Tox21_112276_1

73. Ncgc00165973-02

74. Ncgc00260427-01

75. Ls-12963

76. 1-thioglycerol, Dist., >=98.0% (gc)

77. Ft-0615943

78. T0210

79. T0905

80. (+/-)-3-mercapto-1,2-propanediol

81. D05075

82. D92320

83. A858697

84. Q2745755

85. 3-mercapto-1,2-propanediol, 90 Wt% Aqueous Solution

86. Z1939437499

87. 1-thioglycerol, Liquid, Bioreagent, Suitable For Cell Culture, >=97% (titration)

88. 1-thioglycerol, Pharmagrade, Usp, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production.

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₈O₂S
Molecular Weight	108.16 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	108.02450067 g/mol
Monoisotopic Mass	108.02450067 g/mol
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1