N-[Imino(nitroamino)methyl]-N'-(4-methoxyphenyl)thiourea

Base Information

• Chemical Name: N-[Imino(nitroamino)methyl]-N'-(4-methoxyphenyl)thiourea
• CAS No.: 204188-37-4
• Molecular Formula: C₉H₁₁N₅O₃S
• Molecular Weight: 269.284
• DSSTox Substance ID: DTXSID201198967

Synonyms:DTXSID201198967;N-[Imino(nitroamino)methyl]-N'-(4-methoxyphenyl)thiourea;204188-37-4

Chemical Property of N-[Imino(nitroamino)methyl]-N'-(4-methoxyphenyl)thiourea

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 269.05826040
• Heavy Atom Count: 18
• Complexity: 336

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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N=C(N)N[N+](=O)[O-]
• Isomeric SMILES: COC1=CC=C(C=C1)NC(=S)/N=C(\N)/N[N+](=O)[O-]

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