3,5-Dimethylphenyl isothiocyanate

For research use only. Not for therapeutic Use.

  • CAT Number: L007064
  • CAS Number: 40046-30-8
  • Molecular Formula: C9H9NS
  • Molecular Weight: 163.24
  • Purity: ≥95%
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3,5-Dimethylphenyl Isothiocyanate(Cat No.:L007064), is a chemical compound used in organic synthesis and chemical research. It contains an isothiocyanate group (–N=C=S) attached to a phenyl ring substituted with two methyl groups at the 3 and 5 positions. This compound is valuable in the creation of various organic molecules due to its reactive isothiocyanate moiety. It is employed in the preparation of intermediates for pharmaceuticals, agrochemicals, and specialty chemicals. Researchers use 3,5-dimethylphenyl isothiocyanate in diverse reactions, including the formation of carbon-sulfur bonds, enabling the synthesis of complex organic compounds for scientific investigations and industrial applications.


Catalog Number L007064
CAS Number 40046-30-8
Molecular Formula C9H9NS
Purity ≥95%
IUPAC Name 1-isothiocyanato-3,5-dimethylbenzene
InChI InChI=1S/C9H9NS/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChIKey DSMXCADWIFIJEX-UHFFFAOYSA-N
SMILES CC1=CC(=CC(=C1)N=C=S)C

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