Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine

CAS Registry Number®

956576-60-6
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CAS Name

Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine

Molecular Formula

C13H16N2O2S2

Molecular Mass

296.41

Cite this Page

Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=956576-60-6 (retrieved 2024-09-09) (CAS RN: 956576-60-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O2S2/c16-19(17,15-9-3-1-2-4-10-15)13-7-5-12(6-8-13)14-11-18/h5-8H,1-4,9-10H2

InChIKey

InChIKey=DXVSAGFLARHWIP-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC=C(N=C=S)C=C1)N2CCCCCC2

Canonical SMILES

O=S(=O)(C1=CC=C(N=C=S)C=C1)N2CCCCCC2

Other Names for this Substance

  • 1H-Azepine, hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-
  • Hexahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-1H-azepine