(6-Isothiocyanatohexyl)benzene

CAS Registry Number®

133920-06-6
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CAS Name

(6-Isothiocyanatohexyl)benzene

Molecular Formula

C13H17NS

Molecular Mass

219.35

Cite this Page

(6-Isothiocyanatohexyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=133920-06-6 (retrieved 2024-04-23) (CAS RN: 133920-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2

InChIKey

InChIKey=VJNWEQGIPZMBMA-UHFFFAOYSA-N

SMILES

C(CCCCCN=C=S)C1=CC=CC=C1

Canonical SMILES

S=C=NCCCCCCC=1C=CC=CC1

Other Names for this Substance

  • Benzene, (6-isothiocyanatohexyl)-
  • (6-Isothiocyanatohexyl)benzene
  • 6-Phenylhexyl isothiocyanate

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