Chem
J-GLOBAL ID：201507000412648925   Nikkaji number：J3.406.879H

[1-Tosyl-2-(trifluoromethyl)pyrrolidine-2-yl]methyl thiocyanate

[1-トシル-2-(トリフルオロメチル)ピロリジン-2-イル]メチルチオシアナート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H15F3N2O2S2
Molecular formula furigana： C14-H15-F3-N2-O2-S2
Molecular weight： 364.400
InChI： InChI=1S/C14H15F3N2O2S2/c1-11-3-5-12(6-4-11)23(20,21)19-8-2-7-13(19,9-22-10-18)14(15,16)17/h3-6H,2,7-9H2,1H3
InChI key： LKYJETOHAQPMRU-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)N1CCCC1(CSC#N)C(F)(F)F
Systematic name  (3)：
  • [1-トシル-2-(トリフルオロメチル)ピロリジン-2-イル]メチルチオシアナート
  • ({[1-(4-メチルベンゼンスルホニル)-2-(トリフルオロメチル)ピロリジン-2-イル]メチル}スルファニル)カルボニトリル
  • ({[1-(4-methylbenzenesulfonyl)-2-(trifluoromethyl)pyrrolidin-2-yl]methyl}sulfanyl)carbonitrile
Other name (1)：
  • [1-Tosyl-2-(trifluoromethyl)pyrrolidine-2-yl]methyl thiocyanate
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