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5-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3,4-thiadiazol-2-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID BJnKFv2dcuS
InChI InChI=1S/C9H5F3N4O2S2/c10-9(11,12)4-1-2-6(5(3-4)16(17)18)19-8-15-14-7(13)20-8/h1-3H,(H2,13,14)
InChIKey DCTDPXPBRCQQCY-UHFFFAOYSA-N
Mol Weight 322.28 g/mol
Molecular Formula C9H5F3N4O2S2
Exact Mass 321.980602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZpsDKRCPlW
Name 5-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3,4-thiadiazol-2-amine
Alternate Name(s) 5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-amine [5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-yl]amine
CAS Registry Number 219689-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3N4O2S2
InChI InChI=1S/C9H5F3N4O2S2/c10-9(11,12)4-1-2-6(5(3-4)16(17)18)19-8-15-14-7(13)20-8/h1-3H,(H2,13,14)
InChIKey DCTDPXPBRCQQCY-UHFFFAOYSA-N
Molecular Weight 322.280 g/mol
SMILES Nc1sc(Sc2c(N(=O)=O)cc(C(F)(F)F)cc2)nn1
SPLASH splash10-0c29-9852000000-7f0d3c3b6fd17c4db44f
Wiley ID 1460124