Basic information
- CAS
338965-73-4- Standard SMILES
Cc1ccccc1-n1c(CSc2cc(Cl)ccc2Cl)nc2ccc(Cl)cc2c1=O- InChIKey
QJQUIHNUDFGWAF-UHFFFAOYSA-N- Molecular formula
- C22H15Cl3N2OS
- Average molar mass
- 461.8 g/mol
- Monoisotopic mass
- 459.997067
Names & identifiers
- Preferred name
- 6-Chloro-2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one
- IUPAC
- 6-chloro-2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one
- English name
- 6-CHLORO-2-([(2,5-DICHLOROPHENYL)SULFANYL]METHYL)-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINONE
- Molecular formula
- C22H15Cl3N2OS
- Molecular weight
- 461.79
Names & synonyms
338965-73-46-chloro-2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one6-chloro-2-{[(2,5-dichlorophenyl)sulfanyl]methyl}-3-(2-methylphenyl)-4(3H)-quinazolinone6-chloro-2-{[(2,5-dichlorophenyl)sulfanyl]methyl}-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-oneOprea1_723098AKOS0050959726K-519S6-Chloro-2-(((2,5-dichlorophenyl)thio)methyl)-3-(o-tolyl)quinazolin-4(3H)-one4(3H)-Quinazolinone, 6-chloro-2-[[(2,5-dichlorophenyl)thio]methyl]-3-(2-methylphenyl)-6-CHLORO-2-([(2,5-DICHLOROPHENYL)SULFANYL]METHYL)-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINONE
Database identifiers
- CAS
338965-73-4- PubChem CID
- 3608491
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Boiling point
- 592.4 · 592.4±60.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 0.09 · 0.09±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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