CAS
6287-40-7 Purity
>98.0%(T)
6287-40-7 Purity
>98.0%(T)
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1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione
CAS
6287-54-3
Catalog Number
ACM6287543
Category
Other Products
Molecular Weight
240.282 g/mol
Molecular Formula
C9H12N4O2S
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Specification
Synonyms
8-Methylthiocaffeine, CBMicro_014096, Caffeine, 8-(methylthio)-, NSC8807, MolPort-001-494-070, CID94929, NSC 8807, Caffeine, 8-(methylthio)- (8CI), ZINC00080109, BIM-0014163.P001, EU-0008955, A2062/0086760, 6287-54-3
IUPAC Name
1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione
Canonical SMILES
CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C
InChI Key
BWSVUTTVMCSWHS-UHFFFAOYSA-N
Boiling Point
442.4ºC at 760 mmHg
Flash Point
221.3ºC
Density
1.47g/cm³
Exact Mass
240.06800
H-Bond Acceptor
3
H-Bond Donor
0
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