5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
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![5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/428f473e3ed243f397e8e9bae558905b.png "5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione")
5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
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CAS No:
198695-55-5
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Formula:
C9H8ClN3S
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Chemical Name:
5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
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Synonyms:
NSC686976;5-[(4-chlorophenyl)methyl]-4H-1,2,4-triazole-3-thiol;SCHEMBL4030055;CHEMBL1989244;HMS1788I03;ZINC6535788;5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione;AKOS000122499;NSC-686976;NCI60_031353;EN300-06024;5-(4-Chlorobenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;3-[(4-chlorophenyl)methyl]-1,4-dihydro-1,2,4-triazole-5-thione;198695-55-5
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CAS No:
5-[(4-chlorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Basic Attributes
225.70 g/mol
225.0127461 g/mol
686976
Computed Properties
Molecular Weight:225.70
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:225.0127461
Monoisotopic Mass:225.0127461
Topological Polar Surface Area:68.5
Heavy Atom Count:14
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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