4-Nitro-3-sulfanylbenzoic acid

Base Information

• Chemical Name: 4-Nitro-3-sulfanylbenzoic acid
• CAS No.: 62486-43-5
• Molecular Formula: C7H5NO4S
• Molecular Weight: 199.18400
• European Community (EC) Number: 820-688-3
• DSSTox Substance ID: DTXSID40489799
• Wikidata: Q82333271
• Mol file: 62486-43-5.mol

Synonyms:4-Nitro-3-sulfanylbenzoic acid;62486-43-5;3-mercapto-4-nitrobenzoic acid;5,2-thio-nitrobenzoic acid;3-mercapto-4-nitrobenzoicacid;SCHEMBL23699471;DTXSID40489799;AKOS017531678;EN300-399853

Chemical Property of 4-Nitro-3-sulfanylbenzoic acid

Chemical Property:

• PSA: 121.92000
• LogP: 2.10490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.99392881
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)S)[N+](=O)[O-]