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5-Amino-4-butyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 MS (GC)

5-Amino-4-butyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3bipqBTvOJi
InChI InChI=1S/C6H12N4S/c1-2-3-4-10-5(7)8-9-6(10)11/h2-4H2,1H3,(H2,7,8)(H,9,11)
InChIKey YVYGAERHPMSKME-UHFFFAOYSA-N
Mol Weight 172.25 g/mol
Molecular Formula C6H12N4S
Exact Mass 172.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lvnvRvoyWA
Name 5-Amino-4-butyl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12N4S
InChI InChI=1S/C6H12N4S/c1-2-3-4-10-5(7)8-9-6(10)11/h2-4H2,1H3,(H2,7,8)(H,9,11)
InChIKey YVYGAERHPMSKME-UHFFFAOYSA-N
Molecular Weight 172.250 g/mol
SMILES Nc1[n](c(nn1)S)CCCC
SPLASH splash10-01bl-6900000000-91d8c33b38a46355e4a5
Source of Spectrum JX-2012-529
Synonyms 3-Azanyl-4-butyl-1H-1,2,4-triazole-5-thione
Wiley ID 1660976