1-[(1E)-{[(4-chlorophenyl)methoxy]amino}methylidene]-3-(5-iodopyridin-2-yl)thiourea

Base Information

• Chemical Name: 1-[(1E)-{[(4-chlorophenyl)methoxy]amino}methylidene]-3-(5-iodopyridin-2-yl)thiourea
• CAS No.: 338748-99-5
• Molecular Formula: C14H12ClIN4OS
• Molecular Weight: 446.7
• DSSTox Substance ID: DTXSID501125208
• Mol file: 338748-99-5.mol

Synonyms:338748-99-5;1-[(1E)-{[(4-chlorophenyl)methoxy]amino}methylidene]-3-(5-iodopyridin-2-yl)thiourea;DTXSID501125208;AKOS005090516;4M-961;N-({[(4-chlorobenzyl)oxy]amino}methylene)-N'-(5-iodo-2-pyridinyl)thiourea;(1E)-1-[[(4-Chlorophenyl)methoxyamino]methylidene]-3-(5-iodopyridin-2-yl)thiourea;N-[(4-Chlorophenyl)methoxy]-N'-[[(5-iodo-2-pyridinyl)amino]thioxomethyl]methanimidamide

Chemical Property of 1-[(1E)-{[(4-chlorophenyl)methoxy]amino}methylidene]-3-(5-iodopyridin-2-yl)thiourea

Chemical Property:

• PKA: 10.08±0.70(Predicted)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 445.94651
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

N-((((4-CHLOROBENZYL)OXY)AMINO)METHYLENE)-N'-(5-IODO-2-PYRIDINYL)THIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CONC=NC(=S)NC2=NC=C(C=C2)I)Cl
• Isomeric SMILES: C1=CC(=CC=C1CON/C=N/C(=S)NC2=NC=C(C=C2)I)Cl