For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[methyl(oxido)phenyl-.lambda.6-sulfanylidene]thiourea
SpectraBase Compound ID IqSNbF2z8TN
InChI InChI=1S/C16H12F6N2OS2/c1-27(25,13-5-3-2-4-6-13)24-14(26)23-12-8-10(15(17,18)19)7-11(9-12)16(20,21)22/h2-9H,1H3,(H,23,26)/t27-/m0/s1
InChIKey IIBTVKUIEDAING-MHZLTWQESA-N
Mol Weight 426.4 g/mol
Molecular Formula C16H12F6N2OS2
Exact Mass 426.029524 g/mol
Enantiomer InChIKey IIBTVKUIEDAING-HHHXNRCGSA-N
Racemate InChIKey IIBTVKUIEDAING-UHFFFAOYSA-N
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BJO-8-SM3-S-3

This compound is available in the following databases:

KnowItAll GC-MS Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Wiley Registry of Mass Spectral Data 2026

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.