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3-(butylamino)-1H-1,2,4-triazole-5(4H)-thione

View entire compound with spectra: 2 MS (GC)

3-(butylamino)-1H-1,2,4-triazole-5(4H)-thione
SpectraBase Compound ID B1pJpe3q9sy
InChI InChI=1S/C6H12N4S/c1-2-3-4-7-5-8-6(11)10-9-5/h2-4H2,1H3,(H3,7,8,9,10,11)
InChIKey YOOBVXQSNQACBR-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 4Ss0Vrr0tTe
Name 3-(butylamino)-1H-1,2,4-triazole-5(4H)-thione
Alternate Name(s) 3-(butylamino)-D2-1,2,4-triazoline-5-thione 5-(butylamino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12N4S
InChI InChI=1S/C6H12N4S/c1-2-3-4-7-5-8-6(11)10-9-5/h2-4H2,1H3,(H3,7,8,9,10,11)
InChIKey YOOBVXQSNQACBR-UHFFFAOYSA-N
Molecular Weight 172.250 g/mol
SMILES N1C(=NNC1=S)NCCCC
SPLASH splash10-014i-0900000000-6e46bacd3aea01ca48c4
Source of Spectrum JX-2015-6-7693
Wiley ID 1729724