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

• Catalog Number: ACMA00002289
• Category: Ethers
• Molecular Weight: 250.32
• Molecular Formula: C₁₂H₁₃NO₃
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 2266931?

The molecular formula is C12H14N2O2S.

When was the compound created in PubChem?

The compound was created on 2005-07-15.

What is the IUPAC name of the compound?

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

What is the canonical SMILES notation of the compound?

The canonical SMILES notation is COCCCN1C(=O)C2=CC=CC=C2NC1=S.

What is the molecular weight of the compound?

The molecular weight is 250.32 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 73.7Ų.

Does the compound have any defined atom stereocenter counts?

No, the compound has 0 defined atom stereocenter counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.