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89080-83-1 | 2(1H)-Quinolinethione, 4-methoxy-3-(2-methylphenyl)-
CAS No: 89080-83-1 Catalog No: AG00879V MDL No:
Product Description
Catalog Number:
AG00879V
Chemical Name:
2(1H)-Quinolinethione, 4-methoxy-3-(2-methylphenyl)-
CAS Number:
89080-83-1
Molecular Formula:
C17H15NOS
Molecular Weight:
281.3721
IUPAC Name:
4-methoxy-3-(2-methylphenyl)-1H-quinoline-2-thione
InChI:
InChI=1S/C17H15NOS/c1-11-7-3-4-8-12(11)15-16(19-2)13-9-5-6-10-14(13)18-17(15)20/h3-10H,1-2H3,(H,18,20)
InChI Key:
SHVIRSKRYBVTNK-UHFFFAOYSA-N
SMILES:
COc1c(c(=S)[nH]c2c1cccc2)c1ccccc1C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.373g/mol
Monoisotopic Mass:
281.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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