Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide
Basic information
- CAS
6327-36-2- Standard SMILES
Cc1c2ccccc2nc(CSc2ccccc2)[n+]1[O-]- InChIKey
LMBGIJSKWQJCNI-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide
- IUPAC
- 4-methyl-3-oxido-2-(phenylsulfanylmethyl)quinazolin-3-ium
Names & synonyms
6327-36-2Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxideDTXSID10212657NSC-50848NSC 50848RefChem:178173UNII-IMI6FNB5Y8IMI6FNB5Y8DTXCID40135148NSC508484-Methyl-3-oxo-2-[(phenylsulfanyl)methyl]-3lambda~5~-quinazoline
Database identifiers
- CAS
6327-36-2- PubChem CID
- 467022
- DTXSID
DTXSID10212657
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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