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823195-68-2 | 4(3H)-Quinazolinethione, 6-chloro-2-methyl-3-[4-(1-methylethyl)phenyl]-
CAS No: 823195-68-2 Catalog No: AG004ZBV MDL No:
Product Description
Catalog Number:
AG004ZBV
Chemical Name:
4(3H)-Quinazolinethione, 6-chloro-2-methyl-3-[4-(1-methylethyl)phenyl]-
CAS Number:
823195-68-2
Molecular Formula:
C18H17ClN2S
Molecular Weight:
328.8590
IUPAC Name:
6-chloro-2-methyl-3-(4-propan-2-ylphenyl)quinazoline-4-thione
InChI:
InChI=1S/C18H17ClN2S/c1-11(2)13-4-7-15(8-5-13)21-12(3)20-17-9-6-14(19)10-16(17)18(21)22/h4-11H,1-3H3
InChI Key:
OXKBMVDGFCNKEH-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1c(C)nc2c(c1=S)cc(cc2)Cl)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.858g/mol
Monoisotopic Mass:
328.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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