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89080-84-2 | 2(1H)-Quinolinethione, 4-methoxy-3-phenyl-
CAS No: 89080-84-2 Catalog No: AG0040BS MDL No:
Product Description
Catalog Number:
AG0040BS
Chemical Name:
2(1H)-Quinolinethione, 4-methoxy-3-phenyl-
CAS Number:
89080-84-2
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
4-methoxy-3-phenyl-1H-quinoline-2-thione
InChI:
InChI=1S/C16H13NOS/c1-18-15-12-9-5-6-10-13(12)17-16(19)14(15)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)
InChI Key:
XFZBPNJCSZJCMB-UHFFFAOYSA-N
SMILES:
COc1c(c2ccccc2)c(=S)[nH]c2c1cccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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