Isoquinoline-3(2H)-thione

Base Information

• Chemical Name: Isoquinoline-3(2H)-thione
• CAS No.: 98589-68-5
• Molecular Formula: C₉H₇NS
• Molecular Weight: 161.227
• DSSTox Substance ID: DTXSID70559616
• Wikidata: Q82442381

Synonyms:Isoquinoline-3(2H)-thione;98589-68-5;3-sulfanylisoquinoline;isoquinoline-3-thione;SCHEMBL1486290;DTXSID70559616;AKOS006374087

Chemical Property of Isoquinoline-3(2H)-thione

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.02992040
• Heavy Atom Count: 11
• Complexity: 319

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=CC(=S)NC=C2C=C1

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