4-Amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile

Base Information

• Chemical Name: 4-Amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile
• CAS No.: 478081-60-6
• Molecular Formula: C19H13ClN2OS2
• Molecular Weight: 384.9
• DSSTox Substance ID: DTXSID501145612
• ChEMBL ID: CHEMBL1370954
• Mol file: 478081-60-6.mol

Synonyms:478081-60-6;4-amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile;4-amino-5-benzoyl-2-{[(4-chlorophenyl)methyl]sulfanyl}thiophene-3-carbonitrile;4-amino-5-benzoyl-2-[(4-chlorophenyl)methylsulfanyl]thiophene-3-carbonitrile;SMR000125963;Bionet1_003719;MLS000540905;CHEMBL1370954;HMS579F21;DTXSID501145612;HMS2311H09;AKOS005101722;8P-392S;4-Amino-5-benzoyl-2-[[(4-chlorophenyl)methyl]thio]-3-thiophenecarbonitrile

Chemical Property of 4-Amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 384.0157831
• Heavy Atom Count: 25
• Complexity: 509

Purity/Quality:

95%-98% ^*data from raw suppliers

4-Amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC=C(C=C3)Cl)C#N)N