structure of 4-Fluoro-3-methoxyphenylisothiocyanate

4-Fluoro-3-methoxyphenylisothiocyanate

CAS No.: 1000575-99-4
M. Wt: 183.20300
M. Fa: C8H6FNOS
InChI Key: IRNGZDKFWJIFLU-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 4-Fluoro-3-methoxyphenylisothiocyanate

CAS Number

1000575-99-4

MDL Number

MFCD09800755

IUPAC Name

1-fluoro-4-isothiocyanato-2-methoxybenzene

InChI

InChI=1S/C8H6FNOS/c1-11-8-4-6(10-5-12)2-3-7(8)9/h2-4H,1H3

InChIKey

IRNGZDKFWJIFLU-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=CC(=C1)N=C=S)F

UNSPSC Code

12352100

Physical and chemical properties of 4-Fluoro-3-methoxyphenylisothiocyanate

Exact Mass

183.01500

LogP

2.56860

Molecular Formula

C8H6FNOS

Molecular Weight

183.20300

PSA

53.68000

Safety Information of 4-Fluoro-3-methoxyphenylisothiocyanate

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4-Fluoro-3-methoxyphenylisothiocyanate

4-Fluoro-3-methoxyphenylisothiocyanate finds applications primarily in:

  • Pharmaceutical Development: As an intermediate in the synthesis of biologically active compounds, particularly those targeting cancer and infectious diseases.
  • Agricultural Chemicals: Potential use as a pesticide or herbicide due to its bioactive properties.
  • Chemical Research: Utilized in studies exploring the mechanisms of action of isothiocyanates and their derivatives.

Interaction Studies of 4-Fluoro-3-methoxyphenylisothiocyanate

Interaction studies involving 4-fluoro-3-methoxyphenylisothiocyanate focus on its reactivity with biological molecules. Research indicates that isothiocyanates can interact with cellular proteins and enzymes, potentially leading to modifications that affect cellular signaling pathways. These interactions can be pivotal in understanding the compound's therapeutic potential and toxicity profile.