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5-BENZYLMERCAPTO-2-METHYL-4-METHALLYL-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 5t7QS8CkpHV
InChI InChI=1S/C14H17N3S2/c1-11(2)9-17-13(15-16(3)14(17)18)19-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKey NGKCJFFGXJTTOZ-UHFFFAOYSA-N
Mol Weight 291.43 g/mol
Molecular Formula C14H17N3S2
Exact Mass 291.08639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXfMTehEV1j
Name 2-Methyl-4-methallyl-5-benzylmercapto-1,2,4-triazoline-3-thione
Alternate Name(s) 2-Methyl-4-(2-methylprop-2-enyl)-5-(phenylmethylthio)-1,2,4-triazole-3-thione 5-Benzylsulfanyl-2-methyl-4-(2-methylprop-2-enyl)-1,2,4-triazole-3-thione 5-Benzylsulfanyl-2-methyl-4-(2-methylallyl)-1,2,4-triazole-3-thione 2-Methyl-4-(2-methylprop-2-enyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3S2
InChI InChI=1S/C14H17N3S2/c1-11(2)9-17-13(15-16(3)14(17)18)19-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKey NGKCJFFGXJTTOZ-UHFFFAOYSA-N
Molecular Weight 291.431 g/mol
SMILES C1(N(C(=NN1C)SCc1ccccc1)CC(=C)C)=S
SPLASH splash10-0006-9060000000-37e9572a73c330406ade
Source of Spectrum Y-32-278-6
Wiley ID 1294448