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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178620249Generated: November 3, 2026

6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione

6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione · 2,4(1H,3H)-Pyrimidinedione, 6-[[[(2-fluorophenyl)methyl]thio]methyl]-

https://huagongshe.com/en/chemical/178620249

6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione molecular structure

Identifiers & Physical Properties

CAS No.353260-20-5
Molecular formulaC12H11FN2O2S
Average molar mass266.29 g/mol
Monoisotopic mass266.05252693 g/mol
SMILESO=c1cc(CSCc2ccccc2F)[nH]c(=O)[nH]1
InChIKeyYESIWLQDPSKIPF-UHFFFAOYSA-N
PubChem CID16654095

Chemical & Physical Properties

XLogP1.1
Topological polar surface area83.5
Hydrogen bond donors2
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms18
Formal charge0
Complexity373
Density1.336±0.06 g/cm3(Predicted)
pKa (acidity coefficient)8.63±0.10(Predicted)