1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone structure

1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone

1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone

Also Known As: 6-phenacylthiopurine|NCIStruc1_000368|NCIStruc2_000415|Oprea1_415841|Oprea1_762524|1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone|1-phenyl-2-purin-6-ylthioethan-1-one|NCGC00013290-02|NCGC00096407-01|1-phenyl-2-(9H-purin-6-ylthio)ethanone|Ethanone, 1-phenyl-2-(1H-purin-6-ylthio)-|NCI60_001873|1-phenyl-2-(9H-purin-6-ylsulfanyl)ethanone|2-((9H-purin-6-yl)thio)-1-phenylethanone|1-Phenyl-2-(9H-purin-6-ylsulfanyl)-ethanone|AH-262/37240004|1-Phenyl-2-[(7H-purin-6-yl)sulfanyl]ethan-1-one|SR-01000454950-1|1-PHENYL-2-(9H-PURIN-6-YLSULFANYL)ETHAN-1-ONE|A2022/0084842

CAS: 5454-50-2
Molecular Formula C13H10N4OS
Molecular Weight 270.05753 g/mol
LogP 2.4
Topological Polar Surface Area 96.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 270.05753
Monoisotopic Mass 270.05753
Heavy Atoms 19
Complexity 322.0

Chemical Identifiers

CAS Number 5454-50-2
SMILES C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3
InChIKey CMZUNZSPFKIPCD-UHFFFAOYSA-N

Product Overview

1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone (CAS 5454-50-2), with molecular formula C13H10N4OS and molecular weight 270.05753 g/mol. IUPAC: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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