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Also known as: 5535-48-8, (vinylsulfonyl)benzene, Benzene, (ethenylsulfonyl)-, Sulfone, phenyl vinyl, Vinylsulfonylbenzene, Ethenylsulfonylbenzene
Molecular Formula
C8H8O2S
Molecular Weight
168.21  g/mol
InChI Key
UJTPZISIAWDGFF-UHFFFAOYSA-N
FDA UNII
31973457VY

CAS 5535-48-8
1 2D Structure

CAS 5535-48-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethenylsulfonylbenzene
2.1.2 InChI
InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
2.1.3 InChI Key
UJTPZISIAWDGFF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CS(=O)(=O)C1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
31973457VY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Pvs Cpd

2.3.2 Depositor-Supplied Synonyms

1. 5535-48-8

2. (vinylsulfonyl)benzene

3. Benzene, (ethenylsulfonyl)-

4. Sulfone, Phenyl Vinyl

5. Vinylsulfonylbenzene

6. Ethenylsulfonylbenzene

7. Phenyl Vinyl Sulphone

8. (ethenylsulfonyl)benzene

9. Phenyl Vinylsulfone

10. Ethenesulfonyl-benzene

11. Mfcd00007554

12. Chembl165058

13. Uri 744

14. Nsc-35394

15. (ethenesulfonyl)benzene

16. 31973457vy

17. Phenylvinylsultone

18. Phenylvinylsulphone

19. Unii-31973457vy

20. Ethenesulfonylbenzene

21. Santosh-a-5

22. Einecs 226-890-2

23. (vinyl Sulfonyl) Benzene

24. (vinylsulfonyl)benzene #

25. Phenyl Vinyl Sulfone, 99%

26. Schembl45672

27. Ethenyl Phenyl Sulfone

28. Schembl13341764

29. Dtxsid50203903

30. Uri-744

31. Phenyl Vinyl Sulfone [mi]

32. Zinc391881

33. Act02701

34. Cs-m1815

35. Nsc35394

36. Bdbm50125084

37. Nsc 35394

38. Stk695234

39. Dioxo(phenyl)vinyl-lambda~6~-sulfane

40. Akos005146278

41. As-17307

42. Sy019515

43. (vinylsulfonyl)benzene;sulfone, Phenyl Vinyl

44. Am20040709

45. Ft-0602583

46. P0982

47. En300-65394

48. A24646

49. O10233

50. 535p488

51. Q-101907

52. Q27256031

53. Z1258992621

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 168.21 g/mol
Molecular Formula C8H8O2S
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass168.02450067 g/mol
Monoisotopic Mass168.02450067 g/mol
Topological Polar Surface Area42.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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