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1-Hexyl-1H-1,3-benzodiazole-2-thiol

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1-Hexyl-1H-1,3-benzodiazole-2-thiol
SpectraBase Compound ID 40AWki8NH1P
InChI InChI=1S/C13H18N2S/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16)
InChIKey WFWILCAZZKHLLP-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C13H18N2S
Exact Mass 234.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50H0A6HXcm
Name 1-Hexyl-1H-1,3-benzodiazole-2-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2S
InChI InChI=1S/C13H18N2S/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16)
InChIKey WFWILCAZZKHLLP-UHFFFAOYSA-N
Molecular Weight 234.361 g/mol
SMILES Sc1[n](c2c(cccc2)n1)CCCCCC
SPLASH splash10-0udi-7950000000-72fb3dbf1853d64973d3
Source of Spectrum IY-2-4914-3
Synonyms 1H-1,3-Benzimidazole-2-thiol, 1-hexyl-
Wiley ID 1657126