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89081-01-6 | 2(1H)-Quinolinethione, 4-methoxy-3-(3-thienyl)-
CAS No: 89081-01-6 Catalog No: AG003ZP5 MDL No:
Product Description
Catalog Number:
AG003ZP5
Chemical Name:
2(1H)-Quinolinethione, 4-methoxy-3-(3-thienyl)-
CAS Number:
89081-01-6
Molecular Formula:
C14H11NOS2
Molecular Weight:
273.3732
IUPAC Name:
4-methoxy-3-thiophen-3-yl-1H-quinoline-2-thione
InChI:
InChI=1S/C14H11NOS2/c1-16-13-10-4-2-3-5-11(10)15-14(17)12(13)9-6-7-18-8-9/h2-8H,1H3,(H,15,17)
InChI Key:
JNYFTXMOADIEAO-UHFFFAOYSA-N
SMILES:
COc1c(c2cscc2)c(=S)[nH]c2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.368g/mol
Monoisotopic Mass:
273.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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