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Overview of CAS 5535-48-8

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4CH-014736
PharmaCompass
4CH-014736
Also known as: 5535-48-8, (vinylsulfonyl)benzene, Benzene, (ethenylsulfonyl)-, Sulfone, phenyl vinyl, (ethenesulfonyl)benzene, Vinylsulfonylbenzene
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 Depositor-Supplied Synonyms

1. 5535-48-8

2. (vinylsulfonyl)benzene

3. Benzene, (ethenylsulfonyl)-

4. Sulfone, Phenyl Vinyl

5. (ethenesulfonyl)benzene

6. Vinylsulfonylbenzene

7. Phenyl Vinyl Sulphone

8. (ethenylsulfonyl)benzene

9. Ethenesulfonyl-benzene

10. Chembl165058

11. Uri 744

12. Ujtpzisiawdgff-uhfffaoysa-n

13. Mfcd00007554

14. St4147555

15. Phenyl-vinylsulfon

16. Phenylvinylsulfone

17. Phenylvinylsultone

18. Phenylvinylsulphone

19. Phenyl Vinylsulfone

20. Unii-31973457vy

21. Ethenesulfonylbenzene

22. Santosh-a-5

23. Einecs 226-890-2

24. Ethenylsulfonylbenzene

25. Phenylsulfonylethylene

26. Pubchem15333

27. Acmc-209lmj

28. Ac1l2xvc

29. Ac1q6tjr

30. (vinyl Sulfonyl) Benzene

31. (vinylsulfonyl)benzene #

32. Ac1q2ai7

33. Phenyl Vinyl Sulfone, 99%

34. Schembl45672

35. Ksc271i4b

36. Schembl13341764

37. Ctk1h1440

38. Ks-00000mic

39. Dtxsid50203903

40. Molport-003-928-400

41. Phenyl Vinyl Sulfone, 99% 1g

42. Zinc391881

43. Act02701

44. Cs-m1815

45. Nsc35394

46. Anw-32297

47. Bdbm50125084

48. Nsc-35394

49. Stk695234

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

51. Akos005146278

52. Ls11432

53. Mcule-4035472855

54. Qc-1585

55. Rp23104

56. Rtc-020514

57. Va10092

58. Aj-21152

59. Ak-47603

60. As-17307

61. Br-47603

62. Cj-03530

63. Kb-79970

64. Or002193

65. Or283963

66. Sc-17949

67. Sy019515

68. U427

69. Zb012096

70. Ab0006820

71. St2408384

72. Tc-020514

73. Tl8006881

74. (vinylsulfonyl)benzene;sulfone, Phenyl Vinyl

75. 31973457vy

76. 4ch-014736

77. Am20040709

78. Ft-0602583

79. P0982

80. En300-65394

81. A24646

82. S-1516

83. 535p488

84. I01-0878

85. Q-101907

86. 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 Mass168.025 g/mol
Monoisotopic Mass168.025 g/mol
Topological Polar Surface Area42.5 A^2
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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