4-Isothiocyanato-N-(2-methylpropyl)benzenesulfonamide

CAS Registry Number®

99841-32-4
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CAS Name

4-Isothiocyanato-N-(2-methylpropyl)benzenesulfonamide

Molecular Formula

C11H14N2O2S2

Molecular Mass

270.37

Cite this Page

4-Isothiocyanato-N-(2-methylpropyl)benzenesulfonamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99841-32-4 (retrieved 2024-09-07) (CAS RN: 99841-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H14N2O2S2/c1-9(2)7-13-17(14,15)11-5-3-10(4-6-11)12-8-16/h3-6,9,13H,7H2,1-2H3

InChIKey

InChIKey=XFFZGUCGVLVLAF-UHFFFAOYSA-N

SMILES

S(NCC(C)C)(=O)(=O)C1=CC=C(N=C=S)C=C1

Canonical SMILES

O=S(=O)(NCC(C)C)C1=CC=C(N=C=S)C=C1

Other Names for this Substance

  • Benzenesulfonamide, 4-isothiocyanato-N-(2-methylpropyl)-
  • Isothiocyanic acid, p-(isobutylsulfamoyl)phenyl ester
  • 4-Isothiocyanato-N-(2-methylpropyl)benzenesulfonamide