4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid
• CAS No.: 530152-72-8
• Molecular Formula: C17H12ClN3O5S
• Molecular Weight: 405.81
• DSSTox Substance ID: DTXSID60403770
• Mol file: 530152-72-8.mol

Synonyms:530152-72-8;4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid;DTXSID60403770;4-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

Chemical Property of 4-[3-(4-Chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Chemical Property:

• PSA: 159.83000
• LogP: 4.90930
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 405.0186194
• Heavy Atom Count: 27
• Complexity: 616

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

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