Diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azaniumchloride

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Catalog Number

ACM24851385

Product Name

Structure

CAS

24851-38-5

Category

Heterocyclic Organic Compound

Synonyms

CID32715, LS-48576, 8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride, CAFFEINE, 8-((2-(DIETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE, 24851-38-5

IUPAC Name

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

Molecular Weight

361.891 g/mol

Molecular Formula

C₁₄H₂₄ClN₅O₂S

Canonical SMILES

CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]

InChI Key

SGGGWDPUZQBKOH-UHFFFAOYSA-N

Boiling Point

488.8ºC at 760 mmHg

Flash Point

249.4ºC

Exact Mass

361.13400

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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