p-Tolylsulfonyldiazomethane

C₈H₈N₂O₂SCAS 1538-98-3196.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₂O₂S
Molar mass: 196.22 g/mol
Exact mass: 196.0306 Da
logP: 1.03Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1538-98-3

SMILES

CC1=CC=CC=C1S(=O)(=O)C=[N+]=[N-]

InChIKey

XXMSZJKGRRZIOO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O2S/c1-7-4-2-3-5-8(7)13(11,12)6-10-9/h2-6H,1H3

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Names and synonyms

2 names

1-(Diazomethylsulfonyl)-2-methylbenzene
1-(Diazomethanesulfonyl)-2-methylbenzene

Work with p-Tolylsulfonyldiazomethane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylbenzenesulfonyl chloride133-59-544 % similar 2-Methylbenzenesulfonamide88-19-744 % similar N-Ethyl-O-toluenesulfonamide1077-56-140 % similar Toluenesulfonamide1333-07-937 % similar Benzothiophene 1,1-dioxide825-44-534 % similar O-Xylene95-47-633 % similar 2-Methylphenyl isocyanate614-68-630 % similar

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

Same formula

4-[(Aminothioxomethyl)amino]benzoic acid7366-56-5

Elsewhere

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