4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
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4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
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CAS No:
728013-07-8
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Formula:
C14H11N3O2S2
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Chemical Name:
4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
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Synonyms:
ZINC5706065;STK573844;STK781752;AKOS005498464;AKOS005619734;MCULE-9644423058;4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-(1,3-benzodioxol-5-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;4-(benzo[d][1,3]dioxol-5-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;728013-07-8
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CAS No:
4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Basic Attributes
317.4 g/mol
317.02926895 g/mol
Computed Properties
Molecular Weight:317.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:317.02926895
Monoisotopic Mass:317.02926895
Topological Polar Surface Area:106
Heavy Atom Count:21
Complexity:460
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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