1,3,7-Trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

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Catalog Number

ACM73747350

Product Name

Structure

CAS

73747-35-0

Category

Heterocyclic Organic Compound

Synonyms

8-(Isopentylthio)caffeine; 8-[(3-methylbutyl)sulfanyl]caffeine; CAFFEINE,8-(ISOPENTYLTHIO);

IUPAC Name

1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Molecular Weight

296.388 g/mol

Molecular Formula

C₁₃H₂₀N₄O₂S

Canonical SMILES

CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI Key

MGAOAMZOLCYPSY-UHFFFAOYSA-N

Boiling Point

467.2ºC at 760 mmHg

Flash Point

236.3ºC

Density

1.3g/cm³

Exact Mass

296.13100

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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