8-Heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

CAS

73908-75-5

Catalog Number

ACM73908755

Category

Other Products

Molecular Weight

310.415 g/mol

Molecular Formula

C₁₄H₂₂N₄O₂S

MSDS COA Spec Sheet

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Specification

Synonyms

8-n-Heptylthiotheophylline, 8-(N-Heptylthio)theophylline, Theophylline, 8-heptylthio-, Theophylline, (8-heptylthio)-, NSC77347, NSC 77347, CID96515, LS-149570, 1H-Purine-2,6-dione, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl- (9CI), 73908-75-5

IUPAC Name

8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Canonical SMILES

CCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI Key

FFKZSFMDWWVVHP-UHFFFAOYSA-N

Boiling Point

502ºC at 760 mmHg

Flash Point

257.4ºC

Density

1.27g/cm³