CAS 1003-04-9

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Also known as: 1003-04-9, Dihydrothiophen-3(2h)-one, Thiolan-3-one, 3-thiophanone, Dihydro-3(2h)-thiophenone, 3(2h)-thiophenone, dihydro-

Molecular Formula

C₄H₆OS

Molecular Weight

102.16 g/mol

InChI Key

DSXFPRKPFJRPIB-UHFFFAOYSA-N

FDA UNII

0E9MKH53DV

1 2D Structure

CAS 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. Thiolan-3-one

4. 3-thiophanone

5. Dihydro-3(2h)-thiophenone

6. 3(2h)-thiophenone, Dihydro-

7. 3-thiacyclopentanone

8. 3-oxotetrahydrothiophene

9. 4,5-dihydro-3(2h)-thiophenone

10. 3-tetrahydrothiophenone

11. Tetrahydrothiophene-3-one

12. 3-oxo-2,3,4,5-tetrahydrothiophene

13. 4,5-dihydro-3(2h)thiophenone

14. Fema No. 3266

15. Dihydro-3-(2h)-thiophenone

16. Nsc 241151

17. 0e9mkh53dv

18. Nsc-241151

19. 3-oxothiolane

20. Einecs 213-698-9

21. Unii-0e9mkh53dv

22. Dihydrothiophen-3(2h);-one

23. 3-thiolanone

24. Mfcd00005412

25. Nsc241151

26. Dihydrothiophen-3-one

27. Tetrahydrothien-3-one

28. Dihydro-thiophen-3-one

29. Tetrahydrothiopen-3-one

30. Tetrahydro-thiophen-3-one

31. Schembl55376

32. Schembl6194917

33. Dtxsid9061388

34. Fema 3266

35. 3-oxo-2,4,5-tetrahydrothiophene

36. Amy23378

37. Zinc4521395

38. 1,2,3,4-tetrahydrothiophen-3-one

39. Bbl027522

40. Stl372727

41. Akos000120350

42. 3-oxo-2,3,4, 5-tetrahydrothiophene

43. Cs-w011310

44. Hy-w010594

45. Ps-9308

46. Sb11977

47. 4,5-dihydro-3(2h)-thiophenone, 98%

48. Dihydro-3(2h)thiophenone, 4,5-

49. D3511

50. Ft-0624945

51. En300-21375

52. 4,5-dihydro-3(2h)thiophenone [fhfi]

53. 4,5-dihydro-3(2h)-thiophenone, >=98%, Fg

54. A800092

55. Q-100017

56. Q27236669

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

58. F9995-1306

59. 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 Formula	C₄H₆OS
Molecular Weight	102.16 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	102.01393598 g/mol
Monoisotopic Mass	102.01393598 g/mol
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	69.9
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