3-(Trifluoromethyl)phenyl isothiocyanate (C8H4F3NS)

Looking for routes to 3-(Trifluoromethyl)phenyl isothiocyanate? 3-(Trifluoromethyl)phenyl isothiocyanate presents a C8 framework, aromatic rings, halogen substitution. Use the planner with prefilled SMILES, or copy FC(F)(F)c1cccc(N=C=S)c1 (CAS 1840-19-3).

Target: 3-(Trifluoromethyl)phenyl isothiocyanate
CAS: 1840-19-3
Formula: C8H4F3NS
Approx. MW: 203.18
SMILES: FC(F)(F)c1cccc(N=C=S)c1
PubChem CID: 137232
Approx. carbons: C8

3-(Trifluoromethyl)phenyl isothiocyanate structure

Properties

Molecular weight: 203.18

View on PubChem

3-(Trifluoromethyl)phenyl isothiocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Trifluoromethyl)phenyl isothiocyanate?

3-(Trifluoromethyl)phenyl isothiocyanate has molecular formula C8H4F3NS. Molecular weight about 203.18 g·mol⁻¹.

What is the CAS number of 3-(Trifluoromethyl)phenyl isothiocyanate?

The CAS Registry Number for 3-(Trifluoromethyl)phenyl isothiocyanate is 1840-19-3.

Run AI retrosynthesis for 3-(Trifluoromethyl)phenyl isothiocyanate Target catalog AI tools overview

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Related targets

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(1-Bromoethyl)benzene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene (Chloroethynyl)benzene [(2-Chloroethyl)sulfonyl]benzene 1-(3-Bromo-4-fluorophenyl)ethanone

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.