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1H-1,2,4-triazol-3-amine, 5-[[(3,5-dimethylphenyl)methyl]thio]-
SpectraBase Compound ID 8HNKo8s3CIJ
InChI InChI=1S/C11H14N4S/c1-7-3-8(2)5-9(4-7)6-16-11-13-10(12)14-15-11/h3-5H,6H2,1-2H3,(H3,12,13,14,15)
InChIKey XWDMGWYOYYDIRX-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C11H14N4S
Exact Mass 234.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hprkz52ldgB
Name 1H-1,2,4-triazol-3-amine, 5-[[(3,5-dimethylphenyl)methyl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N4S
InChI InChI=1S/C11H14N4S/c1-7-3-8(2)5-9(4-7)6-16-11-13-10(12)14-15-11/h3-5H,6H2,1-2H3,(H3,12,13,14,15)
InChIKey XWDMGWYOYYDIRX-UHFFFAOYSA-N
Molecular Weight 234.321 g/mol
SMILES Nc1nc(SCc2cc(cc(C)c2)C)[nH]n1
SPLASH splash10-014i-1940000000-cf3ce9208f58f304e155
Source of Spectrum JX-2015-1-7
Synonyms 5-((3,5-dimethylbenzyl)thio)-1H-1,2,4-triazol-3-amine 5-[(3,5-dimethylbenzyl)sulfanyl]-1H-1,2,4-triazol-3-amine 3-[(3,5-dimethylphenyl)methylthio]-1H-1,2,4-triazol-5-amine 3-[(3,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
Wiley ID 1720875