6-((3-Fluorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Basic information
- CAS
137897-68-8- Standard SMILES
Cc1c(Sc2cccc(F)c2)n(COCCO)c(=O)[nH]c1=O- InChIKey
DROKKNCXSIVRJW-UHFFFAOYSA-N- Molecular formula
- C14H15FN2O4S
- Average molar mass
- 326.35 g/mol
- Monoisotopic mass
- 326.0736563
Names & identifiers
- Preferred name
- 6-((3-Fluorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
- IUPAC
- 6-(3-fluorophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-FHEPT6-((3-Fluorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine137897-68-8CHEMBL2789056-[(3-Fluorophenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymineDTXSID50160365BDBM500083286-(3-Fluoro-phenylsulfanyl)-1-(2-hydroxy-ethoxymethyl)-5-methyl-1H-pyrimidine-2,4-dione6-(3-fluorophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-[(3-Fluorophenyl)sulfanyl]-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
137897-68-8- PubChem CID
- 453701
- DTXSID
DTXSID50160365- ChEMBL
CHEMBL278905- Nikkaji
- J457.551B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…