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Home > Product > Heterocyclic Organic Compounds > 1,3,7-Trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

1,3,7-Trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione | CAS Number: 73747-35-0

Catalog Number
ACM73747350
Product Name
1,3,7-Trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Structure
CAS Number
73747-35-0
IUPAC Name
1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Synonyms
8-(Isopentylthio)caffeine; 8-[(3-methylbutyl)sulfanyl]caffeine; CAFFEINE,8-(ISOPENTYLTHIO);
Molecular Weight
296.388 g/mol
Exact Mass
296.13100
Molecular Formula
C13H20N4O2S
Boiling Point
467.2ºC at 760 mmHg
Flash Point
236.3ºC
Density
1.3g/cm3
Purity
96%
SMILES
CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
InChIKey
MGAOAMZOLCYPSY-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
3
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