1,1-Dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea

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Systematic / IUPAC Name: 1,1-Dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea

ID: Reference5265

Other Names: N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]thiourea ;
Thiourea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-

Formula: C10H11F3N2S

Spectral Data

1,1-Dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/25/2016 1:49:43 PM
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Identificators

InChI InChI=1S/C10H11F3N2S/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChI Key MBWGGLMRWAGXPV-UHFFFAOYSA-N
Canonical SMILES CN(C)C(=S)NC1=CC=CC(=C1)C(F)(F)F
CAS
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Other Names N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]thiourea ;
Thiourea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-

In Other Databases

ChEMBL CHEMBL1467933
PubChem 2731112
ChemSpider 2013020