N-tert-butyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide

Base Information

• Chemical Name: N-tert-butyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
• CAS No.: 5321-70-0
• Molecular Formula: C27H31 Cl N2 O . 2 Cl H
• Molecular Weight: 313.457
• DSSTox Substance ID: DTXSID40412244
• Wikidata: Q82219508

Synonyms:5321-70-0;N-tert-butyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide;DTXSID40412244

Chemical Property of N-tert-butyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide

Chemical Property:

• Vapor Pressure: 2.48E-09mmHg at 25°C
• Boiling Point: 478.9°Cat760mmHg
• Flash Point: 243.4°C
• Density: 1.1g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 313.15003553
• Heavy Atom Count: 22
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC(C)(C)C

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