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Overview

Client Email Product
1003-04-9
PharmaCompass
1003-04-9
Also known as: 1003-04-9, Dihydrothiophen-3(2h)-one, 3-thiophanone, Thiolan-3-one, Dihydro-3(2h)-thiophenone, 3-thiacyclopentanone
Molecular Formula
C4H6OS
Molecular Weight
102.16  g/mol
InChI Key
DSXFPRKPFJRPIB-UHFFFAOYSA-N
FDA UNII
0E9MKH53DV

1 2D Structure

1003-04-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
thiolan-3-one
2.1.2 InChI
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
2.1.3 InChI Key
DSXFPRKPFJRPIB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CSCC1=O
2.2 Other Identifiers
2.2.1 UNII
0E9MKH53DV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1003-04-9

2. Dihydrothiophen-3(2h)-one

3. 3-thiophanone

4. Thiolan-3-one

5. Dihydro-3(2h)-thiophenone

6. 3-thiacyclopentanone

7. 3(2h)-thiophenone, Dihydro-

8. 3-oxotetrahydrothiophene

9. 3-tetrahydrothiophenone

10. Tetrahydrothiophene-3-one

11. 4,5-dihydro-3(2h)-thiophenone

12. 3-oxo-2,3,4,5-tetrahydrothiophene

13. 4,5-dihydro-3(2h)thiophenone

14. 3-thiolanone

15. 3-oxothiolane

16. Unii-0e9mkh53dv

17. Dihydro-3-(2h)-thiophenone

18. Nsc 241151

19. Fema No. 3266

20. Einecs 213-698-9

21. Mfcd00005412

22. 0e9mkh53dv

23. Dihydrothiophen-3(2h);-one

24. Dsxfprkpfjrpib-uhfffaoysa-n

25. C4h6os

26. Nsc241151

27. Dihydrothiophen-3-one

28. Pubchem5575

29. Dihydro-thiophen-3-one

30. Tetrahydrothiopen-3-one

31. Ac1l1uuo

32. Ac1q6esx

33. Ac1q6esy

34. Tetrahydro-thiophen-3-one

35. Acmc-1c9jf

36. Schembl55376

37. Ksc490e0b

38. Schembl6194917

39. 2,4,5-trihydrothiophen-3-one

40. Jsp000087

41. Dtxsid9061388

42. Tetrahydrothiophen-3-one, 98%

43. Ctk3j0200

44. Fema 3266

45. 3-oxo-2,4,5-tetrahydrothiophene

46. Ks-000001gd

47. Zinc4521395

48. 1,2,3,4-tetrahydrothiophen-3-one

49. Anw-14224

50. Bbl027522

51. Ct-105

52. Sbb007947

53. Stl372727

54. Akos000120350

55. 3-oxo-2,3,4, 5-tetrahydrothiophene

56. Fr-0636

57. Ls-2668

58. Ls40268

59. Mcule-2059655624

60. Nsc-241151

61. Ps-9308

62. Rl00027

63. Rtc-020254

64. Sb11977

65. Tra0009288

66. 4,5-dihydro-3(2h)-thiophenone, 98%

67. Aj-51409

68. Ak-40135

69. An-19643

70. Cj-12088

71. M947

72. Sc-00014

73. Sy011553

74. Tc-020254

75. D3511

76. Ft-0624945

77. St24030361

78. En300-21375

79. Mfcd00005412 (98%)

80. B-6209

81. 4,5-dihydro-3(2h)-thiophenone, >=98%, Fg

82. A800092

83. I14-1127

84. Q-100017

85. Inchi=1/c4h6os/c5-4-1-2-6-3-4/h1-3h

86. Dihydro-3-(2h)-thiophenone (tetrahydrothiophen-3-one)

87. F9995-1306

88. Dihydro-3-(2h)-thiophenone ; 4,5-dihydro-3(2h)thiophenone ; Dihydrothiophen-3(2h)-one

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 102.16 g/mol
Molecular Formula C4H6OS
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass102.013936 g/mol
Monoisotopic Mass102.013936 g/mol
Topological Polar Surface Area42.4 A^2
Heavy Atom Count6
Formal Charge0
Complexity69.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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