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dithio-3-(tetrahydro-3H-azepin-2yl)carbazic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 MS (GC)

dithio-3-(tetrahydro-3H-azepin-2yl)carbazic acid, methyl ester
SpectraBase Compound ID 69FaC4Ha0qG
InChI InChI=1S/C8H15N3S2/c1-13-8(12)11-10-7-5-3-2-4-6-9-7/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey RXQXXGTXRWRWGF-UHFFFAOYSA-N
Mol Weight 217.35 g/mol
Molecular Formula C8H15N3S2
Exact Mass 217.07074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KoDc01fvXi
Name Methyl 2-(azepan-2-ylidene)hydrazinecarbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15N3S2
InChI InChI=1S/C8H15N3S2/c1-13-8(12)11-10-7-5-3-2-4-6-9-7/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey RXQXXGTXRWRWGF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19921250614
Molecular Weight 217.349 g/mol
SMILES N(N=C1CCCCCN1)C(SC)=S
SPLASH splash10-05mp-9100000000-2dfcea87b4a076fd36c4
Source of Spectrum K-125-1391-4c
Synonyms Methyl 2-(azepan-2-ylidene)hydrazine-1-carbodithioate
Wiley ID 1792269