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823195-66-0

823195-66-0 | 4(3H)-Quinazolinethione, 6-chloro-2-methyl-3-(4-methylphenyl)-

CAS No: 823195-66-0 Catalog No: AG005F65 MDL No:

Product Description

Catalog Number:
AG005F65
Chemical Name:
4(3H)-Quinazolinethione, 6-chloro-2-methyl-3-(4-methylphenyl)-
CAS Number:
823195-66-0
Molecular Formula:
C16H13ClN2S
Molecular Weight:
300.8058
IUPAC Name:
6-chloro-2-methyl-3-(4-methylphenyl)quinazoline-4-thione
InChI:
InChI=1S/C16H13ClN2S/c1-10-3-6-13(7-4-10)19-11(2)18-15-8-5-12(17)9-14(15)16(19)20/h3-9H,1-2H3
InChI Key:
WUXVJPXBFHUHKX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(C)nc2c(c1=S)cc(cc2)Cl

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.049g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.804g/mol
Monoisotopic Mass:
300.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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