2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one

• Catalog Number: ACMA00002542
• Category: Ethers
• Molecular Weight: 284.33
• Molecular Formula: C₁₅H₁₁ClFNO₃
• Hazard Statements: H317
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The molecular formula is C15H12N2O2S.

What is the molecular weight of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The molecular weight is 284.3 g/mol.

What is the IUPAC name of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The IUPAC name is 3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one.

What is the InChI of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The InChI is InChI=1S/C15H12N2O2S/c1-19-13-9-5-4-8-12(13)17-14(18)10-6-2-3-7-11(10)16-15(17)20/h2-9H,1H3,(H,16,20).

What is the InChIKey of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The InChIKey is IGNPPCHTDPKYOJ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The canonical SMILES is COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3NC2=S.

What is the XLogP3-AA value of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 2-Mercapto-3-(2-methoxy-phenyl)-3H-quinazolin-4-one?

The topological polar surface area is 73.7Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.