chempirical

Tosmic

C9H9NO2SCAS 36635-61-7195.24 g/mol

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C−N+SOO
Sulfone

Properties

Molecular formula
C9H9NO2S
Molar mass
195.24 g/mol
Exact mass
195.0354 Da
logP
1.65Crippen estimate
Polar surface area
38.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
36635-61-7
SMILES
[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1
InChIKey
CFOAUYCPAUGDFF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3

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Names and synonyms

15 names · show all
  • Benzene, 1-[(isocyanomethyl)sulfonyl]-4-methyl-
  • 1-[(Isocyanomethyl)sulfonyl]-4-methylbenzene
  • Tosylmethyl isocyanide
  • 4-Tolylsulfonylmethyl isocyanide
  • (p-Tolylsulfonyl)methyl isocyanide
  • p-Toluenesulfonylmethyl isocyanide
  • p-Tosylmethyl isocyanide
  • Isocyanomethyl p-tolyl sulfone
  • 4-Toluenesulfonylmethyl isocyanide
  • p-Toluenesulfonylmethylisonitrile
  • p-Tosylmethyl isonitrile
  • (4-Methylphenylsulfonyl)methyl isocyanide
  • NSC 631633
  • 1-(Isocyanomethanesulfonyl)-4-methylbenzene
  • p-Tolylsulfonylmethyl isocyanide

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Similar compounds

1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-951 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-051 % similar 1-[(4-Methylphenyl)sulfonyl]-2-propanone5366-49-449 % similar 2-[(4-Methylphenyl)sulfonyl]acetic acid3937-96-047 % similar 2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone31378-03-744 % similar P-Toluenesulfonic acid104-15-441 % similar 4-Methylbenzenesulfonyl fluoride455-16-341 % similar P-Toluenesulfonamide70-55-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Dimethoxyphenyl isothiocyanate104968-58-3 4-Isothiocyanato-1,2-dimethoxybenzene33904-04-0 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-9

Elsewhere

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