3-Methylphenyl isothiocyanate

CAS Registry Number®

621-30-7

CAS Name

3-Methylphenyl isothiocyanate

Molecular Formula

C8H7NS

Molecular Mass

149.21

Cite this Page

3-Methylphenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=621-30-7 (retrieved 2024-11-22) (CAS RN: 621-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    243 °C

  • Melting Point (2)

    239 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BDPQUWSFKCFOST-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isothiocyanato-3-methyl-
  • Isothiocyanic acid, m-tolyl ester
  • 1-Isothiocyanato-3-methylbenzene
  • 3-Methylphenyl isothiocyanate
  • m-Tolyl isothiocyanate

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