6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Basic information
- CAS
31485-66-2- Standard SMILES
COc1cc2[nH]c(=S)n(-c3ccccc3)c(=O)c2cc1OC- InChIKey
DKEYZNUDLQFDAL-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.07251349
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
- IUPAC
- 6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
- English name
- 6,7-DiMethoxy-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
- Molecular formula
- C16H14N2O3S
- Molecular weight
- 314.36
Names & synonyms
31485-66-2DTXSID503525466,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-oneRefChem:306218DTXCID703036116,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one6,7-Dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-oneMFCD031459746,7-dimethoxy-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one6,7-dimethoxy-3-phenyl-2-sulfanylquinazolin-4(3H)-one6,7-dimethoxy-3-phenyl-2-sulfanyl-3-hydroquinazolin-4-one
Show more names
2-Mercapto-6,7-dimethoxy-3-phenyl-3H-quinazolin-4-one4(1H)-Quinazolinone, 2,3-dihydro-6,7-dimethoxy-3-phenyl-2-thioxo-
2,3-Dihydro-6,7-dimethoxy-3-phenyl-2-thioxo-1H-quinazolin-4-oneOprea1_523129Oprea1_617255MLS000677489CHEMBL1371890HMS2588E13SBB071559STK030575
Database identifiers
- CAS
31485-66-2- PubChem CID
- 728875
- DTXSID
DTXSID50352546- ChEMBL
CHEMBL1371890
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 317 · 317~319℃
- Boiling point
- 476.2 · 476.2±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 10 · 10+-.0.20(Predicted)
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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