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

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Catalog Number
ACM114864925
Product Name
8-(2-Hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Structure
Structure
CAS
114864-92-5
Category
Heterocyclic Organic Compound
Synonyms
8-((2-Hydroxyethyl)thio)caffeine, BRN 0385021, CID41792, CAFFEINE, 8-((2-HYDROXYETHYL)THIO)-, LS-48584, 4-26-00-02735 (Beilstein Handbook Reference), 114864-92-5
IUPAC Name
8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
270.308 g/mol
Molecular Formula
C10H14N4O3S
Canonical SMILES
CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C
InChI Key
REVYYWXIURTZMT-UHFFFAOYSA-N
Boiling Point
508.8ºC at 760mmHg
Flash Point
261.5ºC
Density
1.52g/cm³
Exact Mass
270.07900
H-Bond Acceptor
4
H-Bond Donor
1
MSDS
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COA
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Spec Sheet
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