Isoquinolin-1-YL-thiomorpholin-4-YL-methanone

Base Information

• Chemical Name: Isoquinolin-1-YL-thiomorpholin-4-YL-methanone
• CAS No.: 864685-18-7
• Molecular Formula: C14H14 N2 O S
• Molecular Weight: 258.33876
• DSSTox Substance ID: DTXSID80592317
• Wikidata: Q82486369
• Mol file: 864685-18-7.mol

Synonyms:864685-18-7;ISOQUINOLIN-1-YL-THIOMORPHOLIN-4-YL-METHANONE;isoquinolin-1-ylthiomorpholin-4-ylmethanone;isoquinolin-1-yl(thiomorpholin-4-yl)methanone;DTXSID80592317;AKOS016909485;DB-370625;(Isoquinolin-1-yl)(thiomorpholin-4-yl)methanone;Z915820558

Chemical Property of Isoquinolin-1-YL-thiomorpholin-4-YL-methanone

Chemical Property:

• PSA: 58.50000
• LogP: 2.36170
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 258.08268425
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CSCCN1C(=O)C2=NC=CC3=CC=CC=C32