[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate
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![[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/87bb12d9b52648ad84d44f5571116c76.png "[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate")
[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate
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CAS No:
307952-81-4
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Formula:
C23H19NO4S
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Chemical Name:
[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate
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Synonyms:
307952-81-4;5-nitro-2-[(4-methylphenyl)sulfanyl]benzyl 3-phenylacrylate;5-Nitro-2-(p-tolylthio)benzyl cinnamate;ZINC2049307;[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate;AKOS005107176;JS-0166;AA-768/32245009;2-[(4-methylphenyl)sulfanyl]-5-nitrobenzyl (2E)-3-phenyl-2-propenoate;{2-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}methyl (2E)-3-phenylprop-2-enoate
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CAS No:
[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl (E)-3-phenylprop-2-enoate Basic Attributes
405.5 g/mol
405.10347926 g/mol
Safety Information
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, 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:405.5
XLogP3:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:405.10347926
Monoisotopic Mass:405.10347926
Topological Polar Surface Area:97.4
Heavy Atom Count:29
Complexity:562
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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