8-(2-Aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione

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Catalog Number
ACM6493249
Product Name
8-(2-Aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
CAS
6493-24-9
Category
Heterocyclic Organic Compound
Synonyms
8-((2-Aminoethyl)thio)caffeine, BRN 0385020, CID22994, CAFFEINE, 8-((2-AMINOETHYL)THIO)-, LS-48566, 4-26-00-02736 (Beilstein Handbook Reference), 6493-24-9
IUPAC Name
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
269.323 g/mol
Molecular Formula
C10H15N5O2S
Canonical SMILES
CN1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C
InChI Key
FUOYEJAXPJNZTJ-UHFFFAOYSA-N
Boiling Point
489ºC at 760mmHg
Flash Point
249.6ºC
Density
1.52g/cm³
Exact Mass
269.09500
H-Bond Acceptor
4
H-Bond Donor
1
MSDS
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COA
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Spec Sheet
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