3-(4-fluorobenzyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Basic information
- CAS
440323-56-8- Standard SMILES
O=c1c2sccc2[nH]c(=S)n1Cc1ccc(F)cc1- InChIKey
YROSNHSDLHELBN-UHFFFAOYSA-N- Molecular formula
- C13H9FN2OS2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.01403342
Names & identifiers
- Preferred name
- 3-(4-fluorobenzyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
- IUPAC
- 3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Names & synonyms
3-(4-fluorobenzyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one440323-56-8Oprea1_511415DTXSID201136208MFCD03018305STL1450913-[(4-fluorophenyl)methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-oneAKOS005746340AKOS005886686BS-10148CS-03656413-(4-fluorobenzyl)-2-sulfanylthieno[3,2-d]pyrimidin-4(3H)-one
Show more names
3-[(4-fluorophenyl)methyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one3-[(4-Fluorophenyl)methyl]-2,3-dihydro-2-thioxothieno[3,2-d]pyrimidin-4(1H)-one3-[(4-Fluorophenyl)methyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
440323-56-8- PubChem CID
- 4454205
- DTXSID
DTXSID201136208
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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