Basic information
- CAS
63362-21-0- Standard SMILES
Cc1c2ccccc2nc(CS(=O)c2ccccc2)[n+]1[O-]- InChIKey
WXXNPKXHUUJDAQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.07759887
Names & identifiers
- Preferred name
- (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfoxide
- IUPAC
- 2-(benzenesulfinylmethyl)-4-methyl-3-oxidoquinazolin-3-ium
Names & synonyms
63362-21-0NSC64058NSC 64058(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfoxide4-Methyl-2-((phenylsulfinyl)methyl)-2,3-dihydroquinazoline 3-oxideNSC-640582-(benzenesulfinylmethyl)-4-methyl-3-oxido-quinazolin-3-ium
Database identifiers
- CAS
63362-21-0- PubChem CID
- 494010
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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