p-Tolyl isothiocyanate

CAS Registry Number®

622-59-3
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CAS Name

p-Tolyl isothiocyanate

Molecular Formula

C8H7NS

Molecular Mass

149.21

Cite this Page

p-Tolyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=622-59-3 (retrieved 2024-09-07) (CAS RN: 622-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    237 °C

  • Melting Point (1)

    25-26 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

InChIKey

InChIKey=ABQKHKWXTUVKGF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isothiocyanato-4-methyl-
  • Isothiocyanic acid, p-tolyl ester
  • 1-Isothiocyanato-4-methylbenzene
  • p-Tolyl isothiocyanate
  • 4-Methylphenyl isothiocyanate

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Deleted or Replaced CAS Registry Numbers

1623724-53-7, 1869985-71-6, 2124236-46-8