Benzene, 2,4-diisothiocyanato-1-methyl-

CAS Registry Number®

4891-66-1
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CAS Name

Benzene, 2,4-diisothiocyanato-1-methyl-

Molecular Formula

C9H6N2S2

Molecular Mass

206.29

Cite this Page

Benzene, 2,4-diisothiocyanato-1-methyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4891-66-1 (retrieved 2024-04-18) (CAS RN: 4891-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    151 °C @ Press: 4 Torr

  • Melting Point (1)

    54.4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

InChIKey

InChIKey=NNMVCFPMIBOZCL-UHFFFAOYSA-N

SMILES

N(=C=S)C1=CC(N=C=S)=CC=C1C

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 2,4-diisothiocyanato-1-methyl-
  • Isothiocyanic acid, 4-methyl-m-phenylene ester
  • Isothiocyanic acid 2,4-tolylene ester
  • Toluene-2,4-dithioisocyanate
  • 2,4-Tolylene diisothiocyanate

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