Basic information
- CAS
60442-56-0- Standard SMILES
COc1ccc(-c2nc3sccc3c(=O)[nH]2)cc1- InChIKey
ZPBVTEKSQMLMDS-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629874
Names & identifiers
- Preferred name
- 2-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 2-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
CTK2F043360442-56-0DTXSID004841642-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
60442-56-0- PubChem CID
- 12282952
- DTXSID
DTXSID00484164
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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