3-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
21004-33-1- Standard SMILES
O=c1[nH]c2c(c(=O)n1-c1ccccc1)CCS2- InChIKey
TXJVYSVXJBLEBZ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2S
- Average molar mass
- 246.29 g/mol
- Monoisotopic mass
- 246.04629874
Names & identifiers
- Preferred name
- 3-Phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 3-phenyl-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-2,4-dione
Names & synonyms
21004-33-13-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine-2,4(1h,3h)-dione3-phenyl-1H,2H,3H,4H,5H,6H-thieno[2,3-d]pyrimidine-2,4-dioneNSC120301DTXSID20298023NSC-120301
Database identifiers
- CAS
21004-33-1- PubChem CID
- 274308
- DTXSID
DTXSID20298023
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…