3,5-Dichloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Dichloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 586392-92-9
• Molecular Formula: C15H8Cl3N3O5S
• Molecular Weight: 448.67
• DSSTox Substance ID: DTXSID60391108
• Wikidata: Q82188343
• Mol file: 586392-92-9.mol

Synonyms:DTXSID60391108;3,5-dichloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid;AKOS000293811;586392-92-9

Chemical Property of 3,5-Dichloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 446.925025
• Heavy Atom Count: 27
• Complexity: 620

Purity/Quality:

3,5-DICHLORO-2-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC 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(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O)Cl