3-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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3-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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CAS No:
385786-70-9
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Formula:
C19H20N2O3S
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Chemical Name:
3-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
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Synonyms:
3-sulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;385786-70-9;ZINC5981780;STK022437;AKOS005379352;AKOS024417635;MCULE-2821649999;3-thioxo-1-(3,4,5-trimethoxyphenyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile;3-thioxo-1-(3,4,5-trimethoxyphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
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CAS No:
3-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Basic Attributes
356.4 g/mol
356.11946368 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:356.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:356.11946368
Monoisotopic Mass:356.11946368
Topological Polar Surface Area:95.6
Heavy Atom Count:25
Complexity:647
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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