2-Nitro-5-(octyldisulfanyl)benzoic acid

Base Information

• Chemical Name: 2-Nitro-5-(octyldisulfanyl)benzoic acid
• CAS No.: 146019-29-6
• Molecular Formula: C15H21 N O4 S2
• Molecular Weight: 343.46
• DSSTox Substance ID: DTXSID30932749
• Nikkaji Number: J1.403.849C
• Wikidata: Q82908489
• Mol file: 146019-29-6.mol

Synonyms:dithio-octyl-nitrobenzoic acid;n-octyl-5-dithio-2-nitrobenzoic acid;ODNB

Chemical Property of 2-Nitro-5-(octyldisulfanyl)benzoic acid

Chemical Property:

• PSA: 133.72000
• LogP: 5.91700
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 343.09120050
• Heavy Atom Count: 22
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O