4,6,8-Trimethyl-quinoline-2-thiol

Base Information

• Chemical Name: 4,6,8-Trimethyl-quinoline-2-thiol
• CAS No.: 568570-16-1
• Molecular Formula: C12H13NS
• Molecular Weight: 203.3
• DSSTox Substance ID: DTXSID90368686
• Wikidata: Q27203574
• ChEMBL ID: CHEMBL1313440
• Mol file: 568570-16-1.mol

Synonyms:4,6,8-Trimethyl-quinoline-2-thiol;568570-16-1;4,6,8-trimethylquinoline-2-thiol;4,6,8-trimethyl-1H-quinoline-2-thione;SMR000155320;2(1H)-Quinolinethione,4,6,8-trimethyl-(9CI);MLS000535981;CHEMBL1313440;DTXSID90368686;CHEBI:116957;HMS2387C20;MFCD08758442;AKOS000117067;AKOS002363624;NCGC00321890-01;CS-0280366;EN300-06397;AB00518483-08;Q27203574;Z56924553

Chemical Property of 4,6,8-Trimethyl-quinoline-2-thiol

Chemical Property:

• Boiling Point: 292.7±50.0 °C(Predicted)
• PKA: 10.73±0.40(Predicted)
• PSA: 51.69000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 3.44870
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 203.07687059
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

99%min ^*data from raw suppliers

4,6,8-trimethyl-1,2-dihydroquinoline-2-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)C(=CC(=S)N2)C)C