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Pyridine, 2,6-bis[[5-(methyl-D3-thio)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-
SpectraBase Compound ID LaLjWJuix7d
InChI InChI=1S/C11H8N6O2S6/c1-20-8-13-15-10(24-8)22-6-4-3-5(17(18)19)7(12-6)23-11-16-14-9(21-2)25-11/h3-4H,1-2H3/i1D3,2D3
InChIKey MJBUERUTLOXEPI-WFGJKAKNSA-N
Mol Weight 454.6 g/mol
Molecular Formula C11H22D6N6O2S6
Exact Mass 453.940961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rpXYbLdpFl
Name Pyridine, 2,6-bis[[5-(methyl-D3-thio)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-
CAS Registry Number 98618-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H2D6N6O2S6
InChI InChI=1S/C11H8N6O2S6/c1-20-8-13-15-10(24-8)22-6-4-3-5(17(18)19)7(12-6)23-11-16-14-9(21-2)25-11/h3-4H,1-2H3/i1D3,2D3
InChIKey MJBUERUTLOXEPI-WFGJKAKNSA-N
Molecular Weight 454.622 g/mol
SMILES c1(c(N(=O)=O)ccc(Sc2sc(SC([2D])([2D])[2D])nn2)n1)Sc1sc(SC([2D])([2D])[2D])nn1
SPLASH splash10-002f-9420000000-5aa7e718f8e130a37730
Source of Spectrum O-20-396-13
Synonyms 2,6-bis(2-(5-trideuteromethylthio-1,3,4-thiadiazolyl)thio)-3-nitropyridine
Wiley ID 1387023