4-{[(4-Fluorophenyl)sulfanyl]methyl}phenylamine

Base Information

• Chemical Name: 4-{[(4-Fluorophenyl)sulfanyl]methyl}phenylamine
• CAS No.: 321431-79-2
• Molecular Formula: C13H12FNS
• Molecular Weight: 233.31
• European Community (EC) Number: 847-864-2
• Mol file: 321431-79-2.mol

Synonyms:321431-79-2;4-{[(4-fluorophenyl)sulfanyl]methyl}aniline;4-{[(4-fluorophenyl)sulfanyl]methyl}phenylamine;4-[(4-fluorophenyl)sulfanylmethyl]aniline;4-([(4-Fluorophenyl)sulfanyl]methyl)aniline;4-(((4-FLUOROPHENYL)SULFANYL)METHYL)ANILINE;C13H12FNS;MFCD00172489;AKOS000213820;1H-415S;CS-0242801;EN300-255466

Chemical Property of 4-{[(4-Fluorophenyl)sulfanyl]methyl}phenylamine

Chemical Property:

• PKA: 4.39±0.10(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.06744872
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

4-{[(4-Fluorophenyl)sulfanyl]methyl}phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)F)N