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89080-85-3 | 2(1H)-Quinolinethione, 4-methyl-3-phenyl-
CAS No: 89080-85-3 Catalog No: AG00879U MDL No:
Product Description
Catalog Number:
AG00879U
Chemical Name:
2(1H)-Quinolinethione, 4-methyl-3-phenyl-
CAS Number:
89080-85-3
Molecular Formula:
C16H13NS
Molecular Weight:
251.3461
IUPAC Name:
4-methyl-3-phenyl-1H-quinoline-2-thione
InChI:
InChI=1S/C16H13NS/c1-11-13-9-5-6-10-14(13)17-16(18)15(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)
InChI Key:
RWSUWKVNULWQKJ-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(c1c1ccccc1)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.347g/mol
Monoisotopic Mass:
251.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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