2-[2-(Phenylsulfonyl)ethylthio]nicotinic acid

Base Information

• Chemical Name: 2-[2-(Phenylsulfonyl)ethylthio]nicotinic acid
• CAS No.: 175203-21-1
• Molecular Formula: C14H13 N O4 S2
• Molecular Weight: 323.394
• DSSTox Substance ID: DTXSID90384881
• Wikidata: Q82177295
• Mol file: 175203-21-1.mol

Synonyms:175203-21-1;2-[2-(Phenylsulfonyl)ethylthio]nicotinic acid;2-[2-(benzenesulfonyl)ethylsulfanyl]pyridine-3-carboxylic acid;2-(2-(Phenylsulfonyl)ethylthio)nicotinic acid;2-((2-(Phenylsulfonyl)ethyl)thio)nicotinic acid;2-{[2-(benzenesulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid;2-(2-(Phenylsulphonyl)ethylthio)nicotinic acid;MFCD00068041;3-Pyridinecarboxylic acid, 2-[[2-(phenylsulfonyl)ethyl]thio]-;Maybridge1_004978;SCHEMBL3642188;HMS555K06;DTXSID90384881;LYXDTDBDUWKOQF-UHFFFAOYSA-N;BBL101116;STL554912;AKOS005256596;CCG-247005;AS-71276;FT-0678200;2-((2-(Phenylsulfonyl)ethyl)thio)nicotinicacid;2-[2-(PHENYLSULFONYL)ETHYLTHIO]NICOTINICACID;2-{[2-(phenylsulfonyl)ethyl]sulfanyl}pyridine-3-carboxylic acid

Chemical Property of 2-[2-(Phenylsulfonyl)ethylthio]nicotinic acid

Chemical Property:

• Vapor Pressure: 2.57E-14mmHg at 25°C
• Boiling Point: 580.5°Cat760mmHg
• Flash Point: 304.9°C
• Density: 1.46g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 323.02860024
• Heavy Atom Count: 21
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

2-(2-(Phenylsulfonyl)ethylthio)nicotinic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)O