1-(4-Quinazolinylthio)-2-butanone
Basic information
- CAS
31737-25-4- Standard SMILES
CCC(=O)CSc1ncnc2ccccc12- InChIKey
RNJRALJUWGCHRY-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 1-(4-Quinazolinylthio)-2-butanone
- IUPAC
- 1-quinazolin-4-ylsulfanylbutan-2-one
Names & synonyms
31737-25-4DTXSID9012995601-(4-Quinazolinylthio)-2-butanoneAKOS0113172201-[(Quinazolin-4-yl)sulfanyl]butan-2-one
Database identifiers
- CAS
31737-25-4- PubChem CID
- 62040650
- DTXSID
DTXSID901299560
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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