2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
• CAS No.: 5625-60-5
• Molecular Formula: C13H10N2O4S
• Molecular Weight: 290.2945
• DSSTox Substance ID: DTXSID20350079
• Wikidata: Q82125827
• ChEMBL ID: CHEMBL1370868
• Mol file: 5625-60-5.mol

Synonyms:2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid;CBMicro_026399;HMS2879L16;ChemDiv1_002031;Cambridge id 5625605;Oprea1_566656;MLS001194587;CHEMBL1370868;HMS592M07;DTXSID20350079;2-{[(4-NITROPHENYL)METHYL]SULFANYL}PYRIDINE-3-CARBOXYLIC ACID;STK806600;AKOS000163214;2-[(4-nitrobenzyl)thio]nicotinic acid;SMR000554959;BIM-0026458.P001;UNM-0000305920;EU-0036535;UNM000011074101;2-[(4-nitrobenzyl)sulfanyl]pyridine-3-carboxylic acid;Z55950273

Chemical Property of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Chemical Property:

• Boiling Point: 522.6°Cat760mmHg
• Flash Point: 269.8°C
• Density: 1.48g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 290.03612798
• Heavy Atom Count: 20
• Complexity: 353

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O