1-Butyl-4-isothiocyanatobenzene

CAS Registry Number®

23165-44-8

CAS Name

1-Butyl-4-isothiocyanatobenzene

Molecular Formula

C11H13NS

Molecular Mass

191.29

Cite this Page

1-Butyl-4-isothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23165-44-8 (retrieved 2024-11-29) (CAS RN: 23165-44-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    165-168 °C @ Press: 17 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3

InChIKey

InChIKey=PXVPXJHMTUKENZ-UHFFFAOYSA-N

SMILES

C(CCC)C1=CC=C(N=C=S)C=C1

Canonical SMILES

S=C=NC1=CC=C(C=C1)CCCC

Other Names for this Substance

  • Benzene, 1-butyl-4-isothiocyanato-
  • Isothiocyanic acid, p-butylphenyl ester
  • 1-Butyl-4-isothiocyanatobenzene
  • 4-Butylphenyl isothiocyanate
  • 4-n-Butylphenyl isothiocyanate

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