CAS 36635-61-7

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5 End Use APIs
12 Related Intermediates

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Also known as: 36635-61-7, Tosmic, P-toluenesulfonylmethyl isocyanide, 1-((isocyanomethyl)sulfonyl)-4-methylbenzene, 1-(isocyanomethylsulfonyl)-4-methylbenzene, 4-toluenesulfonylmethyl isocyanide

Molecular Formula

C₉H₉NO₂S

Molecular Weight

195.24 g/mol

InChI Key

CFOAUYCPAUGDFF-UHFFFAOYSA-N

FDA UNII

C35FD6OLH8

1 2D Structure

CAS 36635-61-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(isocyanomethylsulfonyl)-4-methylbenzene

2.1.2 InChI

InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3

2.1.3 InChI Key

CFOAUYCPAUGDFF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

2.2 Other Identifiers

2.2.1 UNII

C35FD6OLH8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-toluenesulfonylmethyl Isocyanide

2. P-toluenesulphonylmethyl Isocyanide

3. Tmic Isocyanide

2.3.2 Depositor-Supplied Synonyms

1. 36635-61-7

2. Tosmic

3. P-toluenesulfonylmethyl Isocyanide

4. 1-((isocyanomethyl)sulfonyl)-4-methylbenzene

5. 1-(isocyanomethylsulfonyl)-4-methylbenzene

6. 4-toluenesulfonylmethyl Isocyanide

7. 4-toluenesulphonylmethyl Isocyanide

8. Tosylmethylisocyanide

9. (p-tolylsulfonyl)methyl Isocyanide

10. Benzene, 1-[(isocyanomethyl)sulfonyl]-4-methyl-

11. 1-isocyanomethanesulfonyl-4-methylbenzene

12. Toluene-4-sulfonylmethyl Isocyanide

13. 1-isocyanomethanesulfonyl-4-methyl-benzene

14. C35fd6olh8

15. 1-(isocyanomethane)sulfonyl-4-methylbenzene

16. 1-(isocyanomethylsulfonyl)-4-methyl-benzene

17. P-toluenesulfonylmethylisonitrile

18. P-toluenesulfonylmethylisocyanide

19. 4-toluenesulfonylmethylisocyanide

20. P-toluenesulphonylmethyl Isocyanide

21. Nsc631633

22. Nsc-631633

23. 62796-16-1

24. 1-[(isocyanomethyl)sulfonyl]-4-methylbenzene

25. 4-tolylsulfonylmethyl Isocyanide

26. Benzene, 1-((isocyanomethyl)sulfonyl)-4-methyl-

27. (p-toluenesulphonyl)methyl Isocyanide

28. Unii-c35fd6olh8

29. Tmic Isocyanide

30. Toluene-4-sulfonylmethylisocyanide

31. Tosylmethylisonitrile

32. Einecs 253-140-1

33. Mfcd00000005

34. Tosyl Methylisocyanide

35. Tosylmethyl-isocyanide

36. Isocyanomethyl 4-methylphenyl Sulphone

37. 4-toluensulfonylmethyl Isocyanide

38. Tosyl Methyl Isocyanide

39. (tosylmethylimino)carbene

40. 1-[(isocyanomethyl)sulphonyl]toluene

41. Schembl1910

42. P-tolylsulfonylmethylisocyanide

43. P-toluenesufonylmethylisocyanide

44. P-toluensulfonylmethylisocyanide

45. P-tolylsulfonyl-methylisocyanide

46. P-tolylsulfonylmethyl Isocyanide

47. P-tosylmethyl Isonitrile

48. 1-[(isocyanomethyl)sulphonyl]-4-methylbenzene

49. P-toluenesulfonylmetyl Isocyanide

50. P-toluensulfonylmethyl Isocyanide

51. P-toluenesulphonylmethylisocyanide

52. P-toluenesulfonyl Methylisocyanide

53. P-toluenesulfonyl-methylisocyanide

54. P-toluenesulfonylmethyl Isonitrile

55. Dtxsid90190101

56. Rho-toluenesulfonylmethylisocyanide

57. (4-tolylsulphonyl)methylisocyanide

58. (p-toluenesulfonyl)methylisocyanide

59. P-toluene Sulfonylmethyl Isocyanide

60. P-toluene-sulfonylmethyl Isocyanide

61. P-toluenesulfonyl Methyl Isocyanide

62. P-toluenesulfonyl-methyl Isocyanide

63. Para-toluenesulfonylmethylisonitrile

64. 4-toluene-sulfonylmethyl Isocyanide

65. Toluene-4-sulfonyl Methylisocyanide

66. Tosylmethyl Isocyanide [mi]

67. (p-toluenesulfonyl) Methylisocyanide

68. (p-toluenesulfonyl)methyl Isocyanide

69. Act02824

70. Amy13385

71. Cs-d1496

72. P-toluene-sulphonylmethyl Isocyanide

73. P-toluenesulphonyl-methyl Isocyanide

74. Para-toluenesulfonylmethyl Isocyanide

75. Toluene-4-sulphonylmethyl Isocyanide

76. Toluene-p-sulphonylmethyl Isocyanide

77. (4-toluenesulfonyl)methyl Isocyanide

78. Isocyanomethyl 4-methylphenyl Sulfone

79. Zinc77319555

80. (4-toluene-sulfonyl)methyl Isocyanide

81. (para-toluenesulfonyl)methylisocyanide

82. Isocyanomethyl P-tolyl Sulfone

83. (para-toluenesulfonyl)methyl Isocyanide

84. Akos005259936

85. Ab00102

86. (4-methylbenzenesulphonyl)methyl Isocyanide

87. 1-(isocyano Methylsulfonyl)-4-methylbenzene

88. 1-(isocyanomethyl-sulfonyl)-4-methylbenzene

89. 1-isocyano-methanesulfonyl-4-methyl-benzene

90. Ft-0630164

91. T1046

92. 1-(isocyanomethyl Sulfonyl)-4-methyl Benzene

93. 1-[(isocyanomethyl) Sulfonyl]-4-methylbenzene

94. 1-[(isocyanomethyl)-sulphonyl]-4-methylbenzene

95. 2g-918

96. (4-methylphenylsulfonyl)methyl Isocyanide

97. Q4187186

98. W-106600

99. F0001-1046

100. (methylidyne-.lambda.~5~-azanyl)methyl 4-methylphenyl Sulfone

101. Methylidyne[((4-methylphenyl)sulfonyl)methyl]ammonium

102. Methylidyne(((4-methylphenyl)sulfonyl)methyl)-.lambda.~5~-azane

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₂S
Molecular Weight	195.24 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	195.03539970 g/mol
Monoisotopic Mass	195.03539970 g/mol
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	298
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