5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
Basic information
- CAS
21585-17-1- Standard SMILES
O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1CCO- InChIKey
FSOAYJUHOJWEEQ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
- IUPAC
- 5-(2-hydroxyethyl)-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
NSC15459121585-17-1NSC 154591DTXSID10398384NSC-1545915-(2-Hydroxyethyl)-6-phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
21585-17-1- PubChem CID
- 3984140
- DTXSID
DTXSID10398384
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…