1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

CAS Registry Number®

19241-24-8

CAS Name

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

Molecular Formula

C11H13NS

Molecular Mass

191.29

Cite this Page

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19241-24-8 (retrieved 2024-11-24) (CAS RN: 19241-24-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105 °C @ Press: 1.3 Torr

  • Melting Point (2)

    30 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3

InChIKey

InChIKey=OCGNNCBNRBTUCG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-(1,1-dimethylethyl)-4-isothiocyanato-
  • Isothiocyanic acid, p-tert-butylphenyl ester
  • 1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene
  • 4-tert-Butylphenyl isothiocyanate
  • p-tert-Butylphenyl isothiocyanate

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