Basic information
- CAS
352666-91-2- Standard SMILES
COc1cc(-c2ccccc2)[nH]c(=S)n1- InChIKey
ZFOOVAVTANPKPB-UHFFFAOYSA-N- Molecular formula
- C11H10N2OS
- Average molar mass
- 218.28 g/mol
- Monoisotopic mass
- 218.05138412
Overview
4-methoxy-6-phenyl-1H-pyrimidine-2-thione is a member of pyrimidines.
Names & identifiers
- Preferred name
- 4-methoxy-6-phenyl-1H-pyrimidine-2-thione
- IUPAC
- 4-methoxy-6-phenyl-1H-pyrimidine-2-thione
Names & synonyms
4-methoxy-6-phenyl-1H-pyrimidine-2-thione352666-91-22(1H)-Pyrimidinethione, 6-methoxy-4-phenyl-MLS-0390924.00014-methoxy-6-phenyl-2-pyrimidinethiolMLS002460478cid_902452CHEMBL1324345BDBM44370CHEBI:92068DTXSID501263793HMS2204K17
Show more names
HMS3329H11SMR0013826934-Methoxy-6-phenylpyrimidine-2(1H)-thioneAK-820/12461021Q27163863
Database identifiers
- CAS
352666-91-2- PubChem CID
- 902452
- DTXSID
DTXSID501263793- ChEMBL
CHEMBL1324345- ChEBI
CHEBI:92068
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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