Basic information
- CAS
73987-32-3- Standard SMILES
CSc1nc2ccccc2c(=O)n1-c1ccccc1- InChIKey
RIXNXRQGSOJIKY-UHFFFAOYSA-N- Molecular formula
- C15H12N2OS
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.06703418
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
- IUPAC
- 2-methylsulfanyl-3-phenylquinazolin-4-one
- English name
- 2-(Methylthio)-3-phenylquinazolin-4(3H)-one
- Molecular formula
- C15H12N2OS
- Molecular weight
- 268.33
Names & synonyms
73987-32-34(3H)-Quinazolinone, 2-methylthio-3-phenyl-BRN 02305872-(Methylthio)-3-phenyl-4(3H)-quinazolinoneDTXSID602247655-25-01-00279 (Beilstein Handbook Reference)Quinazolin-4(3H)-one, 2-methylthio-3-phenyl-RefChem:96102DTXCID90147256RIXNXRQGSOJIKY-UHFFFAOYSA-N2-(methylthio)-3-phenylquinazolin-4(3H)-one2-(methylsulfanyl)-3-phenyl-3,4-dihydroquinazolin-4-one
Show more names
4(3H)-Quinazolinone, 2-(methylthio)-3-phenyl-2-Methylsulfanyl-3-phenyl-3H-quinazolin-4-one
2-(methylsulfanyl)-3-phenylquinazolin-4(3H)-one2-methylsulfanyl-3-phenylquinazolin-4-one2-methylthio-3-phenyl-3-hydroquinazolin-4-oneEnamine_005289Cambridge id 5728071Oprea1_097711Oprea1_363881SCHEMBL19487245
Database identifiers
- CAS
73987-32-3- PubChem CID
- 64035
- DTXSID
DTXSID60224765- Nikkaji
- J73.428D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 130 · 130-130.5 °C
- Boiling point
- 438.1 · 438.1±28.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 0.02 · 0.02±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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