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7-octyl-4,10-bis(trimethylstannyl)-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

7-octyl-4,10-bis(trimethylstannyl)-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

CAS: 1065645-72-8

Formula: C22H37NS2Sn2

SMILES: CCCCCCCCN1C2=C(SC(=C2)[Sn](C)(C)C)C2=C1C=C(S2)[Sn](C)(C)C

IUPAC: 7-octyl-4,10-bis(trimethylstannyl)-3,11-dithia-7-azatricyclo[6.3.0.0²,?]undeca-1(8),2(6),4,9-tetraene

InChI: InChI=1S/C16H19NS2.6CH3.2Sn/c1-2-3-4-5-6-7-10-17-13-8-11-18-15(13)16-14(17)9-12-19-16;;;;;;;;/h8-9H,2-7,10H2,1H3;6*1H3;;

Composition: C (42.82%), H (6.04%), N (2.27%), S (10.39%), Sn (38.47%)

Molar Mass: 617.09

Atom Count: 64

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 619.041147
Formal Charge 0
FSP3 0.64
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey ZMHYDLJTGVXOIW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.87
Topological Polar Surface Area 4.93
Polarizability 56.76
Ring Count 3
Rotatable Bond Count 9

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