2,3,6-Trimethylquinoline-4-carbothioamide

Base Information

• Chemical Name: 2,3,6-Trimethylquinoline-4-carbothioamide
• CAS No.: 62077-99-0
• Molecular Formula: C13H14N2S
• Molecular Weight: 230.32900
• DSSTox Substance ID: DTXSID10531597
• Wikidata: Q82403575
• Mol file: 62077-99-0.mol

Synonyms:2,3,6-Trimethylquinoline-4-carbothioamide;62077-99-0;DTXSID10531597

Chemical Property of 2,3,6-Trimethylquinoline-4-carbothioamide

Chemical Property:

• Boiling Point: 414.4±55.0 °C(Predicted)
• PSA: 71.00000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 3.49450
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.08776963
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C(N=C2C=C1)C)C)C(=S)N