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7,17-dimethyl-6,16-dithiapentacyclo[11.7.0.0³,¹¹.0?,?.0¹?,¹?]icosa-1,3,5(9),7,10,12,14,17,19-nonaene

7,17-dimethyl-6,16-dithiapentacyclo[11.7.0.0³,¹¹.0?,?.0¹?,¹?]icosa-1,3,5(9),7,10,12,14,17,19-nonaene

Formula: C20H14S2

SMILES: CC1=CC2=CC3=CC4=CC5=C(C=C(C)S5)C=C4C=C3C=C2S1

IUPAC: 7,17-dimethyl-6,16-dithiapentacyclo[11.7.0.0³,¹¹.0?,?.0¹?,¹?]icosa-1,3,5(9),7,10,12,14,17,19-nonaene

InChI: InChI=1S/C20H14S2/c1-11-3-17-7-13-5-16-10-20-18(4-12(2)22-20)8-14(16)6-15(13)9-19(17)21-11/h3-10H,1-2H3

Composition: C (75.43%), H (4.43%), S (20.13%)

Molar Mass: 318.45

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 318.053692799
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey HPJACFAPBXKLQA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.75
Topological Polar Surface Area 0
Polarizability 41.51
Ring Count 5
Rotatable Bond Count 0

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98% <14 Days C20H14S2 Quote Only
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