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2,2'-Bis(4-(2,4-dichlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazole)
SpectraBase Compound ID 7bKZrTPpgsB
InChI InChI=1S/C16H8Cl4N6S2/c17-7-1-3-11(9(19)5-7)25-15(21)27-13(23-25)14-24-26(16(22)28-14)12-4-2-8(18)6-10(12)20/h1-6,21-22H
InChIKey YHRUACLZLGVXSQ-UHFFFAOYSA-N
Mol Weight 490.2 g/mol
Molecular Formula C16H8Cl4N6S2
Exact Mass 487.900597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m4MBPI7aBG
Name 2,2'-Bis(4-(2,4-dichlorophenyl)-4,5-dihydro-5-imino-1,3,4-thiadiazole)
Alternate Name(s) 3-(2,4-dichlorophenyl)-5-[4-(2,4-dichlorophenyl)-5-imino-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,3,4-thiadiazol-2-imine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8Cl4N6S2
InChI InChI=1S/C16H8Cl4N6S2/c17-7-1-3-11(9(19)5-7)25-15(21)27-13(23-25)14-24-26(16(22)28-14)12-4-2-8(18)6-10(12)20/h1-6,21-22H
InChIKey YHRUACLZLGVXSQ-UHFFFAOYSA-N
Molecular Weight 490.214 g/mol
SMILES N=C1N(N=C(C=2SC(N(N2)c2c(cc(cc2)Cl)Cl)=N)S1)c1c(cc(cc1)Cl)Cl
SPLASH splash10-0006-0020900000-2e3fba40bf21fc82712b
Source of Spectrum F-50-5095-5
Wiley ID 1396762