2,2,4,4,6,6,8,8-octabutyl-3,7-dicarbothioyl-4,8-diisothiocyanato-1λ3,5λ3-dioxa-3λ4,7λ4-diaza-2,4,6,8-tetrastannatricyclo[4.2.0.02,5]octane

• ChemBase ID: 128759
• Molecular Formular: C36H72N4O2S4Sn4
• Molecular Mass: 1196.04648
• Monoisotopic Mass: 1200.06258756
• SMILES: [Sn]1([N](=C=S)[Sn]2([O]1[Sn]1([N](=C=S)[Sn]([O]21)(CCCC)(CCCC)N=C=S)(CCCC)CCCC)(CCCC)CCCC)(CCCC)(CCCC)N=C=S
• Canonical SMILES: CCCC[Sn]12(CCCC)[N](=C=S)[Sn]([O]1[Sn]1([O]2[Sn]([N]1=C=S)(CCCC)(CCCC)N=C=S)(CCCC)CCCC)(CCCC)(CCCC)N=C=S
• InChI: InChI=1S/8C4H9.4CNS.2O.4Sn/c8*1-3-4-2;4*2-1-3;;;;;;/h8*1,3-4H2,2H3;;;;;;;;;;/q;;;;;;;;;;2*-1;;;;;2*+1
• InChIKey: PPPXPHOFIOIHRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4,6,6,8,8-octabutyl-3,7-dicarbothioyl-4,8-diisothiocyanato-1λ^3,5λ^3-dioxa-3λ^4,7λ^4-diaza-2,4,6,8-tetrastannatricyclo[4.2.0.0^2,^5]octane
• IUPAC Traditional name: 2,2,4,4,6,6,8,8-octabutyl-3,7-dicarbothioyl-4,8-diisothiocyanato-1λ^3,5λ^3-dioxa-3λ^4,7λ^4-diaza-2,4,6,8-tetrastannatricyclo[4.2.0.0^2,^5]octane
• Synonyms: Otera's catalyst

Database IDs

• Chemspider ID: 21106460
• Wikipedia Title: Otera's_catalyst

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 264.1708 cm^3
• Polar Surface Area: 90.32 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false