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dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride
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![dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3dfe82a57539451188a26d94dc627371.png "dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride")
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride
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CAS No:
24851-39-6
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Formula:
C13H22ClN5O2S
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Chemical Name:
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride
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Synonyms:
8-((3-(Dimethylamino)propyl)thio)caffeine hydrochloride; CAFFEINE,8-((3-(DIMETHYLAMINO)PROPYL)THIO)-,HYDROCHLORIDE; dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium chloride;
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CAS No:
dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride Basic Attributes
347.86400
347.1182738 g/mol
Computed Properties
Molecular Weight:347.87
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:347.1182738
Monoisotopic Mass:347.1182738
Topological Polar Surface Area:88.2
Heavy Atom Count:22
Complexity:419
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of dimethyl-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropyl]azanium,chloride
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