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2-{{{2-{[(p-chlorophenyl)sulfonyl]methyl}-4-thiazolyl}methyl}thio}-5-(methylthio)-1,3,4-thiadiazole

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2-{{{2-{[(p-chlorophenyl)sulfonyl]methyl}-4-thiazolyl}methyl}thio}-5-(methylthio)-1,3,4-thiadiazole
SpectraBase Compound ID 7aBrx6gE5uH
InChI InChI=1S/C14H12ClN3O2S5/c1-21-13-17-18-14(24-13)23-7-10-6-22-12(16-10)8-25(19,20)11-4-2-9(15)3-5-11/h2-6H,7-8H2,1H3
InChIKey JPSGIYBUJTYEJI-UHFFFAOYSA-N
Mol Weight 450.0 g/mol
Molecular Formula C14H12ClN3O2S5
Exact Mass 448.92216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGGNbbQdijQ
Name 2-{{{2-{[(p-CHLOROPHENYL)SULFONYL]METHYL}-4-THIAZOLYL}METHYL}THIO}-5-(METHYLTHIO)-1,3,4-THIADIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12ClN3O2S5
InChI InChI=1S/C14H12ClN3O2S5/c1-21-13-17-18-14(24-13)23-7-10-6-22-12(16-10)8-25(19,20)11-4-2-9(15)3-5-11/h2-6H,7-8H2,1H3
InChIKey JPSGIYBUJTYEJI-UHFFFAOYSA-N
Melting Point 145-148C
Molecular Weight 450.04
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms THIADIAZOLE, 1,3,4-, 2-{{{2-{[(p-CHLOROPHENYL)SULFONYL]METHYL}-4-THIAZOLYL}METHYL}THIO}-5-(METHYLTHIO)-,