5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
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![5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/640114c6c88441d2a50b451b530693ce.png "5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione")
5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
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CAS No:
175276-75-2
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Formula:
C13H17N3S
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Chemical Name:
5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
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Synonyms:
3H-1,2,4-Triazole-3-thione,5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-methyl-;5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione;5-(4-tert-Butylphenyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
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CAS No:
5-[4-(1,1-Dimethylethyl)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione Basic Attributes
247.35900
247.36
DTXSID10351515
2933990090
Safety Information
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:247.36
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:247.11431873
Monoisotopic Mass:247.11431873
Topological Polar Surface Area:59.7
Heavy Atom Count:17
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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