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2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione
2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione
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![2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c3a6d44d416e41dbb36983cd80a4ab91.png "2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione")
2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione
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CAS No:
140406-05-9
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Formula:
C17H12BrN3O2S
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Chemical Name:
2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione
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Synonyms:
Ethanone,2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-(9CI); Ethanone,2-[[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]thio]-1-(4-bromophenyl);
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CAS No:
2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione Basic Attributes
402.26500
416.97828
Computed Properties
Molecular Weight:418.3
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:416.97828
Monoisotopic Mass:416.97828
Topological Polar Surface Area:102
Heavy Atom Count:25
Complexity:478
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-1-(4-bromophenyl)ethanethione
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