8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride

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

CAS: 24851-38-5

Molecular Formula	`C14H24ClN5O2S`
Molecular Weight	361.9 g/mol
Topological Polar Surface Area	88.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	361.1339
Heavy Atoms	23
Complexity	431.0

Chemical Identifiers

CAS Number	24851-38-5
SMILES	`CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]`
InChIKey	`SGGGWDPUZQBKOH-UHFFFAOYSA-N`

📖 Product Overview

8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride (CAS: 24851-38-5) is a chemical compound with molecular formula C14H24ClN5O2S and molecular weight 361.9 g/mol. Its IUPAC systematic name is diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium chloride. Topological Polar Surface Area 88.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 361.1339 Heavy Atoms 23 Complexity 431.0 InChI Key: SGGGWDPUZQBKOH-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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