Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide structure

Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide

4-methyl-3-oxido-2-(phenylsulfanylmethyl)quinazolin-3-ium

Also Known As: Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide|4-methyl-2-[(phenylsulfanyl)methyl]quinazoline 3-oxide|4-methyl-3-oxido-2-(phenylsulfanylmethyl)quinazolin-3-ium|4-Methyl-3-oxo-2-[(phenylsulfanyl)methyl]-3lambda~5~-quinazoline

CAS: 6338-82-5
Molecular Formula C16H14N2OS
Molecular Weight 282.08267 g/mol
LogP 3.0
Topological Polar Surface Area 63.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 282.08267
Monoisotopic Mass 282.08267
Heavy Atoms 20
Complexity 309.0

Chemical Identifiers

CAS Number 6338-82-5
SMILES CC1=[N+](C(=NC2=CC=CC=C12)CSC3=CC=CC=C3)[O-]
InChIKey LMBGIJSKWQJCNI-UHFFFAOYSA-N

Product Overview

Quinazoline, 4-methyl-2-((phenylthio)methyl)-, 3-oxide (CAS 6338-82-5), with molecular formula C16H14N2OS and molecular weight 282.08267 g/mol. IUPAC: 4-methyl-3-oxido-2-(phenylsulfanylmethyl)quinazolin-3-ium.

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