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1-Pentyl-1H-1,3-benzodiazole-2-thiol
SpectraBase Compound ID Ifj4ITTN4Il
InChI InChI=1S/C12H16N2S/c1-2-3-6-9-14-11-8-5-4-7-10(11)13-12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,15)
InChIKey RCMNTIVCOFKVJY-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C12H16N2S
Exact Mass 220.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1umJYQktqFq
Name 1-Pentyl-1H-1,3-benzodiazole-2-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2S
InChI InChI=1S/C12H16N2S/c1-2-3-6-9-14-11-8-5-4-7-10(11)13-12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,15)
InChIKey RCMNTIVCOFKVJY-UHFFFAOYSA-N
Molecular Weight 220.334 g/mol
SMILES Sc1[n](c2c(cccc2)n1)CCCCC
SPLASH splash10-0f79-5910000000-f6fdb50905987343f16e
Source of Spectrum IY-2-4914-0
Synonyms 1H-1,3-Benzimidazole-2-thiol, 1-pentyl- 3-Pentyl-1H-benzimidazole-2-thione
Wiley ID 1657123