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13193-50-5 | 4(3H)-Quinazolinethione, 2-methyl-3-phenyl-
CAS No: 13193-50-5 Catalog No: AG000ZXV MDL No:
Product Description
Catalog Number:
AG000ZXV
Chemical Name:
4(3H)-Quinazolinethione, 2-methyl-3-phenyl-
CAS Number:
13193-50-5
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
IUPAC Name:
2-methyl-3-phenylquinazoline-4-thione
InChI:
InChI=1S/C15H12N2S/c1-11-16-14-10-6-5-9-13(14)15(18)17(11)12-7-3-2-4-8-12/h2-10H,1H3
InChI Key:
KBDVBPKCFRMICV-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=S)n1c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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