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89080-98-8 | 2(1H)-Quinolinethione, 4-methyl-3-(3-thienyl)-
CAS No: 89080-98-8 Catalog No: AG0040BP MDL No:
Product Description
Catalog Number:
AG0040BP
Chemical Name:
2(1H)-Quinolinethione, 4-methyl-3-(3-thienyl)-
CAS Number:
89080-98-8
Molecular Formula:
C14H11NS2
Molecular Weight:
257.3738
IUPAC Name:
4-methyl-3-thiophen-3-yl-1H-quinoline-2-thione
InChI:
InChI=1S/C14H11NS2/c1-9-11-4-2-3-5-12(11)15-14(16)13(9)10-6-7-17-8-10/h2-8H,1H3,(H,15,16)
InChI Key:
QLPRLOKBQDAQET-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(c1c1cscc1)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.369g/mol
Monoisotopic Mass:
257.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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