5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Basic information
- CAS
743452-38-2- Standard SMILES
COCCn1c(=S)[nH]c2scc(-c3ccc(F)cc3)c2c1=O- InChIKey
SPOQUKDVEPJHSG-UHFFFAOYSA-N- Molecular formula
- C15H13FN2O2S2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.04024817
Names & identifiers
- Preferred name
- 5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
743452-38-25-(4-fluorophenyl)-3-(2-methoxyethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one5-(4-fluorophenyl)-2-mercapto-3-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4(3H)-one5-(4-Fluorophenyl)-2,3-dihydro-3-(2-methoxyethyl)-2-thioxothieno[2,3-d]pyrimidin-4(1H)-oneC15H13FN2O2S2DTXSID501122230AKOS005198772CS-0348355EN300-09022SR-01000050573SR-01000050573-1Z55992930
Show more names
5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one5-(4-Fluorophenyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
743452-38-2- PubChem CID
- 3603773
- DTXSID
DTXSID501122230
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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