CAS 36635-61-7

Chemistry, 5 End Use API, 4 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

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Ethyl-2,2-dimethyl-7-bromoheptanoate

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Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.

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2,2,14,14,-TETRAMETHYL-8-OXOPENTADECANEDIOIC ACID DIETH...

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738606-43-4

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Bempedoic Acid

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Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules

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Bempedoic Acid

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Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.

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