(1-Phenyl-1-tosyl)methyl isocyanide

C₁₅H₁₃NO₂SCAS 36635-66-2271.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃NO₂S
Molar mass: 271.33 g/mol
Exact mass: 271.0667 Da
logP: 3.39Crippen estimate
Polar surface area: 38.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

36635-66-2

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)[N+]#[C-]

InChIKey

KIJCBVOPJSHLBI-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO2S/c1-12-8-10-14(11-9-12)19(17,18)15(16-2)13-6-4-3-5-7-13/h3-11,15H,1H3

Weigh it out

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Names and synonyms

1 names

a-Tosylbenzyl isocyanide

Work with (1-Phenyl-1-tosyl)methyl isocyanide

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

1-Methyl-1-tosylmethyl isocyanide58379-80-959 % similar Diiodomethyl p-tolyl sulfone20018-09-146 % similar (1R,2R)-(-)-N-P-Tosyl-1,2-diphenylethylenediamine144222-34-441 % similar (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine167316-27-041 % similar TOSMIC36635-61-740 % similar (1-Isocyanoethyl)benzene17329-20-338 % similar 4-Methylbenzhydrol1517-63-138 % similar N-Benzyl-p-toluenesulfonamide1576-37-037 % similar

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

Elsewhere

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