2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid

Base Information

• Chemical Name: 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid
• CAS No.: 532944-80-2
• Molecular Formula: C17H10ClIN2O3S2
• Molecular Weight: 516.8
• DSSTox Substance ID: DTXSID601125287
• Mol file: 532944-80-2.mol

Synonyms:532944-80-2;DTXSID601125287;AKOS000293360;2-[[[[(3-Chlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]-5-iodobenzoic acid

Chemical Property of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 515.88661
• Heavy Atom Count: 26
• Complexity: 582

Purity/Quality:

2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O)Cl