2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyridine-3-carboxylic Acid

Base Information

• Chemical Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyridine-3-carboxylic Acid
• CAS No.: 175203-17-5
• Molecular Formula: C14H12 Cl N O4 S2
• Molecular Weight: 357.83200
• DSSTox Substance ID: DTXSID40381244
• Wikidata: Q82171957
• Mol file: 175203-17-5.mol

Synonyms:175203-17-5;2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyridine-3-carboxylic Acid;2-((2-[(4-chlorophenyl)sulfonyl]ethyl)thio)nicotinic acid;3-Pyridinecarboxylic acid, 2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-;SCHEMBL7820285;DTXSID40381244;UQBJEHFNIQLGDU-UHFFFAOYSA-N;AKOS015908851;2-(2-(4-chlorophenylsulfonyl)ethylthio)nicotinic acid;3-Pyridinecarboxylicacid,2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-;2-{[2-(4-Chlorobenzene-1-sulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid

Chemical Property of 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]pyridine-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 3.9E-15mmHg at 25°C
• Boiling Point: 597.7oC at 760 mmHg
• Flash Point: 315.3oC
• PSA: 118.01000
• Density: 1.54g/cm3
• LogP: 4.08000
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 356.9896279
• Heavy Atom Count: 22
• Complexity: 472

Purity/Quality:

98.5% ^*data from raw suppliers

2-((2-[(4-CHLOROPHENYL)SULPHONYL]ETHYL)THIO)NICOTINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O