6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol structure

6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol

6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Also Known As: 6-(2-Bromobenzylthio)2-hydroxypurine|0.05 H2O|6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol|6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one|6-[(2-bromobenzyl)sulfanyl]-3,7-dihydro-2h-purin-2-one|2H-Purin-2-one, 6-[[(2-bromophenyl)methyl]thio]-1,3-dihydro-|6-{[(2-Bromophenyl)methyl]sulfanyl}-3,7-dihydro-2H-purin-2-one

CAS: 646510-75-0
Molecular Formula C12H9BrN4OS
Molecular Weight 335.96805 g/mol
LogP 2.6
Topological Polar Surface Area 95.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 335.96805
Monoisotopic Mass 335.96805
Heavy Atoms 19
Complexity 392.0

Chemical Identifiers

CAS Number 646510-75-0
SMILES C1=CC=C(C(=C1)CSC2=NC(=O)NC3=C2NC=N3)Br
InChIKey YHFOWZBCZFKUFL-UHFFFAOYSA-N

Product Overview

6-[(2-bromophenyl)methylsulfanyl]-9H-purin-2-ol (CAS 646510-75-0), with molecular formula C12H9BrN4OS and molecular weight 335.96805 g/mol. IUPAC: 6-[(2-bromophenyl)methylsulfanyl]-3,7-dihydropurin-2-one.

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