1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione

CAS
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CAS
6287-54-3
Size
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Purity
96%
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Catalog Number

ACM6287543

Product Name

1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione

CAS

6287-54-3

Category

Heterocyclic Organic Compound

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

Molecular Weight

240.282 g/mol

Molecular Formula

C9H12N4O2S

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

H-Bond Donor

MSDS

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COA

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Spec Sheet

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