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

*Links on SpectraBase are not permalinks.
1H-Pyrrole, 1-thiocyanato-2,3,4,5-tetrakis[(trifluoromethyl)thio]-
SpectraBase Compound ID EFqJL2TWrjJ
InChI InChI=1S/C9F12N2S5/c10-6(11,12)25-2-3(26-7(13,14)15)5(28-9(19,20)21)23(24-1-22)4(2)27-8(16,17)18
InChIKey WOXCSMXNHXMYSP-UHFFFAOYSA-N
Mol Weight 524.4 g/mol
Molecular Formula C9F12N2S5
Exact Mass 523.847342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kw1Ne8GmNij
Name 1H-Pyrrole, 1-thiocyanato-2,3,4,5-tetrakis[(trifluoromethyl)thio]-
CAS Registry Number 100596-63-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9F12N2S5
InChI InChI=1S/C9F12N2S5/c10-6(11,12)25-2-3(26-7(13,14)15)5(28-9(19,20)21)23(24-1-22)4(2)27-8(16,17)18
InChIKey WOXCSMXNHXMYSP-UHFFFAOYSA-N
Molecular Weight 524.394 g/mol
SMILES c1(c(c(SC(F)(F)F)c([n]1SC#N)SC(F)(F)F)SC(F)(F)F)SC(F)(F)F
SPLASH splash10-014i-1000920000-637f01d6c2c715b6952b
Source of Spectrum K-118-4593-2
Synonyms 1-(cyanosulfanyl)-2,3,4,5-tetrakis[(trifluoromethyl)sulfanyl]-1H-pyrrole 1-Thiocyanato-2,3,4,5-tetrakis(trifluormethylthio)pyrrol
Wiley ID 1402429