4-(Furan-2-ylmethylsulfanyl)quinazoline

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Basic information

CAS: 6956-69-0
Standard SMILES: c1coc(CSc2ncnc3ccccc23)c1
InChIKey: BWNVREWAOKSODJ-UHFFFAOYSA-N
Molecular formula: C13H10N2OS
Average molar mass: 242.3 g/mol
Monoisotopic mass: 242.05138394

Names & identifiers

Preferred name: 4-(Furan-2-ylmethylsulfanyl)quinazoline
IUPAC: 4-(furan-2-ylmethylsulfanyl)quinazoline

Names & synonyms

6956-69-04-(furan-2-ylmethylsulfanyl)quinazolineNSC65068NCIOpen2_003086SCHEMBL9356883DTXSID70289885BWNVREWAOKSODJ-UHFFFAOYSA-N4-(2-Furylmethylthio)-quinazolineNSC-650684-{[(Furan-2-yl)methyl]sulfanyl}quinazoline

Database identifiers

CAS: 6956-69-0
PubChem CID: 248348
DTXSID: DTXSID70289885

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 252

Related reactions

1 records

New reaction record

HRID 1761858As productuspto-grants-1989_05

Compound notes

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