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13961-55-2 | 4(3H)-Quinazolinethione, 3-amino-2-phenyl-
CAS No: 13961-55-2 Catalog No: AG001BDV MDL No:
Product Description
Catalog Number:
AG001BDV
Chemical Name:
4(3H)-Quinazolinethione, 3-amino-2-phenyl-
CAS Number:
13961-55-2
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
IUPAC Name:
3-amino-2-phenylquinazoline-4-thione
InChI:
InChI=1S/C14H11N3S/c15-17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14(17)18/h1-9H,15H2
InChI Key:
DHOLLLUILMAGQZ-UHFFFAOYSA-N
SMILES:
S=c1n(N)c(nc2c1cccc2)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.323g/mol
Monoisotopic Mass:
253.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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