200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13961-53-0
13961-53-0 | 4(3H)-Quinazolinethione, 3-hydroxy-2-phenyl-
CAS No: 13961-53-0 Catalog No: AG001BDW MDL No:
Product Description
Catalog Number:
AG001BDW
Chemical Name:
4(3H)-Quinazolinethione, 3-hydroxy-2-phenyl-
CAS Number:
13961-53-0
Molecular Formula:
C14H10N2OS
Molecular Weight:
254.3070
IUPAC Name:
3-hydroxy-2-phenylquinazoline-4-thione
InChI:
InChI=1S/C14H10N2OS/c17-16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(16)18/h1-9,17H
InChI Key:
KNLKNECMXAABMH-UHFFFAOYSA-N
SMILES:
S=c1n(O)c(nc2c1cccc2)c1ccccc1
NSC Number:
685462
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.307g/mol
Monoisotopic Mass:
254.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.