1,1'-Bis(methylsulfanyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline

Base Information

• Chemical Name: 1,1'-Bis(methylsulfanyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline
• CAS No.: 287102-77-6
• Molecular Formula: C20H24N2S2
• DSSTox Substance ID: DTXSID10572945
• Nikkaji Number: J1.314.891K
• Wikidata: Q82461488
• Mol file: 287102-77-6.mol

Synonyms:287102-77-6;1,1'-Bis(methylsulfanyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline;Oprea1_545071;DTXSID10572945;5,5',6,6',7,7',8,8'-octahydro-1,1'-di(methylthio)-3,3'-biisoquinoline

Chemical Property of 1,1'-Bis(methylsulfanyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 356.13809112
• Heavy Atom Count: 24
• Complexity: 380

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MSDS Files:

Useful:

• Canonical SMILES: CSC1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)SC

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