3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
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![3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b005ce6bcfd7484cbb83a006e8559087.png "3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione")
3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
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CAS No:
493003-34-2
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Formula:
C17H18N4S
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Chemical Name:
3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
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Synonyms:
TimTec1_003033;MLS000709667;CHEMBL1467410;HMS1542J19;HMS2693I06;ZINC2544689;STL266160;STL272758;AKOS000564184;AKOS002169638;MCULE-4045298275;SMR000286534;ST042105;BRD-K24510268-001-01-0;5-{[(2,6-dimethylphenyl)amino]methyl}-4-phenyl-1,2,4-triazole-3-thiol;3-(((2,6-Dimethylphenyl)amino)methyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione;5-[(2,6-dimethylanilino)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-{[(2,6-dimethylphenyl)amino]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-{[(2,6-dimethylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol;493003-34-2
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CAS No:
3-[(2,6-dimethylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Basic Attributes
310.4 g/mol
310.12521776 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:310.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:310.12521776
Monoisotopic Mass:310.12521776
Topological Polar Surface Area:71.8
Heavy Atom Count:22
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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