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6-phenyl-8-thiatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

6-phenyl-8-thiatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

Formula: C18H12S

SMILES: S1C2=C(C=CC=C2)C2=C1C(=CC=C2)C1=CC=CC=C1

IUPAC: 6-phenyl-8-thiatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C18H12S/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-12H

Composition: C (83.04%), H (4.65%), S (12.31%)

Molar Mass: 260.35

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 260.06597156
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey BMCNAHBDZUYGJG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 80.77
Topological Polar Surface Area 0
Polarizability 35.37
Ring Count 4
Rotatable Bond Count 1

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97% <7 Days C18H12S $257.13-$2,064.48$257.13$568.48$2,064.48
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