N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Base Information

• Chemical Name: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
• CAS No.: 6188-52-9
• Molecular Formula: C25H34N2O3S
• Molecular Weight: 442.6141
• DSSTox Substance ID: DTXSID00412109

Synonyms:N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide;6188-52-9;536701-32-3;N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide;DTXSID00412109;AKOS024584636;N-butyl-1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide;F0574-0336

Chemical Property of N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Chemical Property:

• Vapor Pressure: 5.04E-13mmHg at 25°C
• Boiling Point: 570.4°Cat760mmHg
• Flash Point: 298.8°C
• Density: 1.121g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 442.22901412
• Heavy Atom Count: 31
• Complexity: 553

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC

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