Basic information
- CAS
353260-20-5- Standard SMILES
O=c1cc(CSCc2ccccc2F)[nH]c(=O)[nH]1- InChIKey
YESIWLQDPSKIPF-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O2S
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.05252693
Names & identifiers
- Preferred name
- 6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 6-[(2-fluorophenyl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
- English name
- 6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione
- Molecular formula
- C12H11FN2O2S
- Molecular weight
- 266.29
Names & synonyms
6-{[(2-fluorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedioneOprea1_807410AI-204/316970246-[(2-fluorophenyl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-[[[(2-fluorophenyl)methyl]thio]methyl]-
Database identifiers
- CAS
353260-20-5- PubChem CID
- 16654095
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 8.63 · 8.63±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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