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CAS 5535-48-8 manufacturers and suppliers on PharmaCompass

PharmaCompass
4CH-014736
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

1 2D Structure

4CH-014736

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
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