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81008-90-4 | Benzo[h]quinoline, 2-methyl-4-(phenylthio)-
CAS No: 81008-90-4 Catalog No: AG0056M7 MDL No:
Product Description
Catalog Number:
AG0056M7
Chemical Name:
Benzo[h]quinoline, 2-methyl-4-(phenylthio)-
CAS Number:
81008-90-4
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
2-methyl-4-phenylsulfanylbenzo[h]quinoline
InChI:
InChI=1S/C20H15NS/c1-14-13-19(22-16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)20(18)21-14/h2-13H,1H3
InChI Key:
CESLDUJCYARPGJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Sc2ccccc2)c2c(n1)c1ccccc1cc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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