3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
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![3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6a43c50ebe5c43529f3978b863464480.png "3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine")
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
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CAS No:
1164521-24-7
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Formula:
C16H15N5S
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Chemical Name:
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
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Synonyms:
MLS000050884;CHEMBL1570187;HMS2521M04;ZINC2264736;SALOR-INT L465046-1EA;STL298719;AKOS002187752;SMR000078580;ST50083475;SR-01000284310;SR-01000284310-1;3-(Cinnamylthio)-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine;3-((2E)-3-phenylprop-2-enylthio)-5-(4-pyridyl)-1,2,4-triazole-4-ylamine;3-[(3-phenyl-2-propen-1-yl)thio]-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine;3-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-5-(4-pyridinyl)-4H-1,2,4-triazol-4-amine;3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-amine;1164521-24-7;675171-18-3
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CAS No:
3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin-4-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:352
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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