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4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE

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4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID JWc4nmxOoxH
InChI InChI=1S/C8H7N3S/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey PUGUFBAPNSPHHY-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C8H7N3S
Exact Mass 177.036068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbhclTQBQfH
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-
CAS Registry Number 5373-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3S
InChI InChI=1S/C8H7N3S/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey PUGUFBAPNSPHHY-UHFFFAOYSA-N
Molecular Weight 177.225 g/mol
SMILES Sc1nnc[n]1-c1ccccc1
SPLASH splash10-004i-4900000000-9cf2226aeb61575485ad
Source of Spectrum JX-2012-698
Synonyms 4-Phenyl-4H-1,2,4-triazole-3-thiol 4-Phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 4-Phenyl-1H-1,2,4-triazole-5-thione
Wiley ID 1661144