3-benzyl-4-butyl-1H-1,2,4-triazole-5-thione
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3-benzyl-4-butyl-1H-1,2,4-triazole-5-thione
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CAS No:
626223-99-2
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Formula:
C13H17N3S
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Chemical Name:
3-benzyl-4-butyl-1H-1,2,4-triazole-5-thione
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Synonyms:
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione;626223-99-2;5-benzyl-4-butyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-Benzyl-4-butyl-4H-[1,2,4]triazole-3-thiol;3-benzyl-4-butyl-1H-1,2,4-triazole-5-thione;MLS000097212;CHEMBL1565106;SCHEMBL11367386;CHEBI:115454;REGID_for_CID_2208854;HMS2418F15;ZINC4476417;AKOS000569560;MCULE-5123216813;SMR000076819;5-Benzyl-4-butyl-4H-1,2,4-triazole-3-thiol;Q27197306
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CAS No:
Computed Properties
Molecular Weight:247.36
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:247.11431873
Monoisotopic Mass:247.11431873
Topological Polar Surface Area:59.7
Heavy Atom Count:17
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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