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diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride

diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride structure

CAS No:
24851-38-5
Formula:
C14H24ClN5O2S
Chemical Name:
diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride
Synonyms:
24851-38-5;8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride;CAFFEINE, 8-((2-(DIETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE

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diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride Basic Attributes

Molecular Weight：

361.9 g/mol

Exact Mass：

361.1339239 g/mol

Characteristics

PSA：

88.2 Å²

Computed Properties

Molecular Weight:361.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:361.1339239
Monoisotopic Mass:361.1339239
Topological Polar Surface Area:88.2
Heavy Atom Count:23
Complexity:432
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium;chloride

Basic Attributes
Characteristics
Computed Properties

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