3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
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![3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/72d1dbbe696a49f399187d0aeae1f9ca.png "3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine")
3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
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CAS No:
676245-15-1
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Formula:
C21H24N4S
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Chemical Name:
3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
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Synonyms:
676245-15-1;ZINC2397149;STL298717;AKOS002187886;ST50083419;3-(4-(tert-Butyl)phenyl)-5-(cinnamylthio)-4H-1,2,4-triazol-4-amine;3-((2E)-3-phenylprop-2-enylthio)-5-[4-(tert-butyl)phenyl]-1,2,4-triazole-4-yla mine;3-(4-tert-butylphenyl)-5-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-4H-1,2,4-triazol-4-ylamine;3-(4-tert-butylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-4-amine
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CAS No:
3-(4-tert-butylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine Basic Attributes
364.5 g/mol
364.17216796 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:364.5
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:364.17216796
Monoisotopic Mass:364.17216796
Topological Polar Surface Area:82
Heavy Atom Count:26
Complexity:447
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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