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5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID AM6mBlCW6xi
InChI InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)
InChIKey WDUGNJIRKJHDNF-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C10H9N3O2S
Exact Mass 235.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJUJMEOnjOB
Name 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4H-1,2,4-triazole-3-thiol
CAS Registry Number 311794-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O2S
InChI InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)
InChIKey WDUGNJIRKJHDNF-UHFFFAOYSA-N
Molecular Weight 235.261 g/mol
SMILES [nH]1c(S)nnc1C1Oc2ccccc2OC1
SPLASH splash10-0fbi-9520000000-2f39fbb602158e0e0b19
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole-3-thiol, 5-(benzo[b]dioxan-2-yl)- 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Wiley ID 1424149