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dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
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![dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6d2e3636095246b3a35480ef59f333ac.png "dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride")
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
structure -
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CAS No:
24851-37-4
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Formula:
C12H20ClN5O2S
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Chemical Name:
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
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Synonyms:
24851-37-4;8-((2-(Dimethylamino)ethyl)thio)caffeine hydrochloride;CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
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CAS No:
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride Basic Attributes
333.84 g/mol
333.1026238 g/mol
Computed Properties
Molecular Weight:333.84
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:333.1026238
Monoisotopic Mass:333.1026238
Topological Polar Surface Area:88.2
Heavy Atom Count:21
Complexity:405
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
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