2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid

Base Information

• Chemical Name: 2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid
• CAS No.: 385383-44-8
• Molecular Formula: C14H11FO2S
• Molecular Weight: 262.30
• European Community (EC) Number: 671-564-9
• DSSTox Substance ID: DTXSID10382384
• Wikidata: Q82173721
• Mol file: 385383-44-8.mol

Synonyms:2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid;385383-44-8;2-[(3-fluorophenyl)methylsulfanyl]benzoic Acid;2-(3-fluorobenzylthio)benzoic acid;2-((3-Fluorobenzyl)thio)benzoic acid;2-{[(3-fluorophenyl)methyl]sulfanyl}benzoic acid;Oprea1_770607;SCHEMBL4741951;DTXSID10382384;2-((3-Fluorobenzyl)thio)benzoicacid;MFCD02937499;AKOS000136472;CS-0332475;11R-0298;J-505221

Chemical Property of 2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.04637893
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Fluorobenzylthio)benzoicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

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