8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
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![8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/246515ab1af04cf3a7f32ccd9eefe9d0.png "8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione")
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
structure -
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CAS No:
477333-68-9
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Formula:
C13H17ClN4O3S
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Chemical Name:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
344.821
344.0709893
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:344.82
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:344.0709893
Monoisotopic Mass:344.0709893
Topological Polar Surface Area:113
Heavy Atom Count:22
Complexity:478
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
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