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89081-02-7 | 2(1H)-Quinolinethione, 3-phenyl-4-propoxy-
CAS No: 89081-02-7 Catalog No: AG003ZP4 MDL No:
Product Description
Catalog Number:
AG003ZP4
Chemical Name:
2(1H)-Quinolinethione, 3-phenyl-4-propoxy-
CAS Number:
89081-02-7
Molecular Formula:
C18H17NOS
Molecular Weight:
295.3987
IUPAC Name:
3-phenyl-4-propoxy-1H-quinoline-2-thione
InChI:
InChI=1S/C18H17NOS/c1-2-12-20-17-14-10-6-7-11-15(14)19-18(21)16(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)
InChI Key:
IYOXFPTURSKHFN-UHFFFAOYSA-N
SMILES:
CCCOc1c(c2ccccc2)c(=S)[nH]c2c1cccc2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.4g/mol
Monoisotopic Mass:
295.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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