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4H-[1,2,4]Triazole-3-thiol, 5-(3-chloro-4-methylphenyl)-4-methyl-
SpectraBase Compound ID 1IFxkBjOfT3
InChI InChI=1S/C10H10ClN3S/c1-6-3-4-7(5-8(6)11)9-12-13-10(15)14(9)2/h3-5H,1-2H3,(H,13,15)
InChIKey SSFULKQKWCUWBI-UHFFFAOYSA-N
Mol Weight 239.72 g/mol
Molecular Formula C10H10ClN3S
Exact Mass 239.028396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OWqxXz95mu
Name 4H-[1,2,4]Triazole-3-thiol, 5-(3-chloro-4-methylphenyl)-4-methyl-
Alternate Name(s) 3-(3-Chloranyl-4-methyl-phenyl)-4-methyl-1H-1,2,4-triazole-5-thione 3-(3-Chloro-4-methyl-phenyl)-4-methyl-1H-1,2,4-triazole-5-thione 5-(3-Chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
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Formula C10H10ClN3S
InChI InChI=1S/C10H10ClN3S/c1-6-3-4-7(5-8(6)11)9-12-13-10(15)14(9)2/h3-5H,1-2H3,(H,13,15)
InChIKey SSFULKQKWCUWBI-UHFFFAOYSA-N
Molecular Weight 239.724 g/mol
SMILES Sc1nnc([n]1C)-c1ccc(c(c1)Cl)C
SPLASH splash10-000i-9780000000-28d104230f7044117161
Wiley ID 1438932