Organofluorine / Alfa Chemistry
1-({[dichloro(fluoro)methyl]-phenyl-λ4-sulfanylidene}amino)ethylidene-diethyl-ammonium trifluoromethanesulfonate

1-({[dichloro(fluoro)methyl]-phenyl-λ4-sulfanylidene}amino)ethylidene-diethyl-ammonium trifluoromethanesulfonate

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1-({[dichloro(fluoro)methyl]-phenyl-λ4-sulfanylidene}amino)ethylidene-diethyl-ammonium trifluoromethanesulfonate
Catalog OFC1260111872
CAS 1260111-87-2
Category Trifluoromethylthiolation Agents
Synonyms Ethanaminium, N-[1-[[(dichlorofluoromethyl)phenyl-λ4-sulfanylidene]amino]ethylidene]-N-ethyl-, 1,1,1-trifluoromethanesulfonate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C13H18Cl2FN2S.CHF3O3S/c1-4-18(5-2)11(3)17-19(13(14,15)16)12-9-7-6-8-10-12;2-1(3,4)8(5,6)7/h6-10H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key LCKJYGZETYCARK-UHFFFAOYSA-M
Canonical SMILES CC[N+](CC)=C(C)/N=S(/c1ccccc1)C(F)(Cl)Cl.O=S(=O)([O-])C(F)(F)F
Molecular Formula C14H18Cl2F4N2O3S2
Molecular Weight 473.341
Melting Point 80-82 °C
Exact Mass 472.0072

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