Free Chemical Databases
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[Synonyms]
3-(2-Naphthyl)-1-thiaindene
NSC163930
Benzo[b]thiophene, 3-(2-naphthalenyl)-
55712-60-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 260.35288 [g/mol] Molecular Formula C18H12S XLogP 5.9 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 1 Exact Mass 260.065971 MonoIsotopic Mass 260.065971 Topological Polar Surface Area 0 Heavy Atom Count 19 Formal Charge 0 Complexity 313 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-naphthalen-2-yl-1-benzothiophene
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC4=CC=CC=C43
InChI: InChI=1/C18H12S/c1-2-6-14-11-15(10-9-13(14)5-1)17-12-19-18-8-4-3-7-16
(17)18/h1-12H
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