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113760-17-1 | Quinazoline, 4-(methylthio)-2-phenyl-, 3-oxide
CAS No: 113760-17-1 Catalog No: AG0009LF MDL No:
Product Description
Catalog Number:
AG0009LF
Chemical Name:
Quinazoline, 4-(methylthio)-2-phenyl-, 3-oxide
CAS Number:
113760-17-1
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
4-methylsulfanyl-3-oxido-2-phenylquinazolin-3-ium
InChI:
InChI=1S/C15H12N2OS/c1-19-15-12-9-5-6-10-13(12)16-14(17(15)18)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
OUACNINEYIVYBL-UHFFFAOYSA-N
SMILES:
CSc1[n+]([O-])c(nc2c1cccc2)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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