3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine
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![3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/46d0c02d2f334b8cb5d97b35c5cd7339.png "3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine")
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine
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CAS No:
1164526-48-0
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Formula:
C16H15N5S
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Chemical Name:
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine
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Synonyms:
SMR000043249;MLS000041374;CHEMBL1472227;HMS2406E06;ZINC2438687;STL298721;AKOS002188064;ST50083534;3-(Cinnamylthio)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine;3-(CINNAMYLTHIO)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-4-AMINE;3-((2E)-3-phenylprop-2-enylthio)-5-(3-pyridyl)-1,2,4-triazole-4-ylamine;3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine;1164526-48-0;675842-04-3
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CAS No:
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,2,4-triazol-4-amine Basic Attributes
309.4 g/mol
309.10481667 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:309.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:309.10481667
Monoisotopic Mass:309.10481667
Topological Polar Surface Area:94.9
Heavy Atom Count:22
Complexity:358
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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