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[2,8-bis({5-[(2-ethylhexyl)sulfanyl]thiophen-2-yl})-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl]trimethylstannane

[2,8-bis({5-[(2-ethylhexyl)sulfanyl]thiophen-2-yl})-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl]trimethylstannane

Formula: C40H58S6Sn2

SMILES: CCCCC(CC)CSC1=CC=C(S1)C1=C2C=C(SC2=C(C2=CC=C(SCC(CC)CCCC)S2)C2=C1SC(=C2)[Sn](C)(C)C)[Sn](C)(C)C

IUPAC: [2,8-bis({5-[(2-ethylhexyl)sulfanyl]thiophen-2-yl})-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl]trimethylstannane

InChI: InChI=1/C34H40S6.6CH3.2Sn/c1-5-9-11-23(7-3)21-37-29-15-13-27(39-29)31-25-17-19-36-34(25)32(26-18-20-35-33(26)31)28-14-16-30(40-28)38-22-24(8-4)12-10-6-2;;;;;;;;/h13-18,23-24H,5-12,21-22H2,1-4H3;6*1H3;;

Composition: C (49.60%), H (6.04%), S (19.86%), Sn (24.51%)

Molar Mass: 968.68

Atom Count: 106

Heavy Atom Count: 48

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 2
Exact Mass 970.090683
Formal Charge 0
FSP3 0.55
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey NWVZZUBZUJKJNG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 215.47
Topological Polar Surface Area 0
Polarizability 99.08
Ring Count 5
Rotatable Bond Count 18

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C40H58S6Sn2 Quote Only