3-{[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl}aniline

Base Information

• Chemical Name: 3-{[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl}aniline
• CAS No.: 79576-19-5
• Molecular Formula: C13H9ClF3NS
• DSSTox Substance ID: DTXSID20533360
• Wikidata: Q82406631

Synonyms:3-{[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl}aniline;79576-19-5;SCHEMBL10936167;DTXSID20533360;QDQBFURABOZLDH-UHFFFAOYSA-N

Chemical Property of 3-{[2-Chloro-4-(trifluoromethyl)phenyl]sulfanyl}aniline

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.0096326
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC2=C(C=C(C=C2)C(F)(F)F)Cl)N

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