1-(Isothiocyanatomethyl)-4-methylbenzene

CAS Registry Number®

3694-46-0
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CAS Name

1-(Isothiocyanatomethyl)-4-methylbenzene

Molecular Formula

C9H9NS

Molecular Mass

163.24

Cite this Page

1-(Isothiocyanatomethyl)-4-methylbenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3694-46-0 (retrieved 2024-04-27) (CAS RN: 3694-46-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    155 °C @ Press: 17 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3

InChIKey

InChIKey=OAXIUBJXQISJEV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCC1=CC=C(C=C1)C

Other Names for this Substance

  • Benzene, 1-(isothiocyanatomethyl)-4-methyl-
  • Isothiocyanic acid, p-methylbenzyl ester
  • 1-(Isothiocyanatomethyl)-4-methylbenzene
  • p-Methylbenzyl isothiocyanate
  • 4-Methylbenzyl isothiocyanate

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