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2,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

2,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

Formula: C34H42S4

SMILES: CCCCC(CC)CC1=CC=C(S1)C1=C2C=CSC2=C(C2=CC=C(CC(CC)CCCC)S2)C2=C1SC=C2

IUPAC: 2,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

InChI: InChI=1/C34H42S4/c1-5-9-11-23(7-3)21-25-13-15-29(37-25)31-27-17-19-36-34(27)32(28-18-20-35-33(28)31)30-16-14-26(38-30)22-24(8-4)12-10-6-2/h13-20,23-24H,5-12,21-22H2,1-4H3

Composition: C (70.54%), H (7.31%), S (22.15%)

Molar Mass: 578.95

Atom Count: 80

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 2
Exact Mass 578.216936048
Formal Charge 0
FSP3 0.47
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey NNTCBLBIVSUXIW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 171.06
Topological Polar Surface Area 0
Polarizability 71.38
Ring Count 5
Rotatable Bond Count 14

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