CAS 2295-31-0

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CHEMISTRY

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4 Related Intermediates

Chemistry

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Also known as: 2295-31-0, 1,3-thiazolidine-2,4-dione, Thiazolidinedione, Thiazolidine-2,4-dione, 2,4-dioxothiazolidine, 2,4(3h,5h)-thiazoledione

Molecular Formula

C₃H₃NO₂S

Molecular Weight

117.13 g/mol

InChI Key

ZOBPZXTWZATXDG-UHFFFAOYSA-N

FDA UNII

AA68LXK93C

Thiazolidinedione has been investigated for the treatment of Type 2 Diabetes, Diabetes Mellitus, and DIABETES MELLITUS, TYPE 2.

1 2D Structure

CAS 2295-31-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-thiazolidine-2,4-dione

2.1.2 InChI

InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

2.1.3 InChI Key

ZOBPZXTWZATXDG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(=O)NC(=O)S1

2.2 Other Identifiers

2.2.1 UNII

AA68LXK93C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-thiazolidinedione Potassium

2. T-174

3. Thiazolidinedione

2.3.2 Depositor-Supplied Synonyms

1. 2295-31-0

2. 1,3-thiazolidine-2,4-dione

3. Thiazolidinedione

4. Thiazolidine-2,4-dione

5. 2,4-dioxothiazolidine

6. 2,4(3h,5h)-thiazoledione

7. Usaf Ek-5496

8. Mfcd00005478

9. Chebi:50992

10. Thiazolidinedione-2,4

11. Thiazolidin-2,4-dione

12. 2,4-thiazolidine Dione

13. Aa68lxk93c

14. Nsc6745

15. Nsc-6745

16. Thiazolidindione

17. 2,4-thiazolidindione

18. Nsc 6745

19. Einecs 218-941-2

20. Unii-aa68lxk93c

21. Brn 0110700

22. Ai3-61185

23. Thiazolidine-dione

24. 2,4thiazolidinedione

25. Thiazole-2,4-dione

26. 2,4 Thiazolidinedione

27. 2,5h)-thiazoledione

28. Thiazolidine-2,4 Dione

29. Wln: T5svmv Ehj

30. Schembl5043

31. 1,3-thiazole-2,4-dione

32. 4-27-00-03144 (beilstein Handbook Reference)

33. Chembl85398

34. Schembl8158011

35. Dtxsid5040623

36. 1,3-thiazolidine-2,4-dione #

37. Act04253

38. Bcp26341

39. Zinc8554292

40. Ac7504

41. Bdbm50502228

42. Stk159523

43. 2,4-dioxo-1,3-thiazolidine

44. Akos000119892

45. Akos025397012

46. Ac-3453

47. Cs-w019917

48. Db11898

49. 2-thiazolin-4-one, 2-hydroxy-

50. As-15441

51. Sy001546

52. Gw3478456

53. A4870

54. Am20090236

55. Bb 0255316

56. Ft-0610238

57. T1990

58. 2,4-thiazolidinedione, Technical Grade, 90%

59. 95t310

60. Sr-01000945204

61. J-610067

62. Q1393556

63. Sr-01000945204-1

64. W-107446

65. Brd-k70526448-001-02-0

66. Z57131032

67. F1028-0003

68. 9ut

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₃H₃NO₂S
Molecular Weight	117.13 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	116.98844951 g/mol
Monoisotopic Mass	116.98844951 g/mol
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1