(4-Isothiocyanatobutyl)benzene

CAS Registry Number®

61499-10-3
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CAS Name

(4-Isothiocyanatobutyl)benzene

Molecular Formula

C11H13NS

Molecular Mass

191.29

Cite this Page

(4-Isothiocyanatobutyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61499-10-3 (retrieved 2024-04-28) (CAS RN: 61499-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

InChIKey

InChIKey=CCBQOLFAKKAMLD-UHFFFAOYSA-N

SMILES

C(CCCN=C=S)C1=CC=CC=C1

Canonical SMILES

S=C=NCCCCC=1C=CC=CC1

Other Names for this Substance

  • Benzene, (4-isothiocyanatobutyl)-
  • (4-Isothiocyanatobutyl)benzene
  • Phenylbutyl isothiocyanate
  • 4-Phenylbutyl isothiocyanate

CAS INSIGHTSTM
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