Completing data — refresh the page later to see the latest
Basic information
- CAS
68321-44-8- Standard SMILES
O=c1[nH]c(=O)n(C2CCCS2)cc1F- InChIKey
PLCFCSKGIXYEOZ-UHFFFAOYSA-N- Molecular formula
- C8H9FN2O2S
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.03687687
Names & identifiers
- Preferred name
- 1-(2'-Tetrahydrothienyl) 5-fluorouracil
- IUPAC
- 5-fluoro-1-(thiolan-2-yl)pyrimidine-2,4-dione
- English name
- 1-(2'-tetrahydrothienyl) 5-fluorouracil
- Molecular formula
- C8H9FN2O2S
- Molecular weight
- 216.23
Names & synonyms
68321-44-81-FUS1-(2'-Tetrahydrothienyl) 5-fluorouracilRefChem:739412,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-thienyl)-5-Fluoro-1-(tetrahydrothiophen-2-yl)pyrimidine-2,4(1H,3H)-dione5-fluoro-1-(thiolan-2-yl)pyrimidine-2,4-dioneNSC306905CHEMBL78402SCHEMBL11387087NSC 306905NSC-306905
Database identifiers
- CAS
68321-44-8- PubChem CID
- 100008
- ChEMBL
CHEMBL78402- Nikkaji
- J431.786F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 180 · 180-181 °C(Solv: ethyl acetate (141-78-6))
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…