(5Z)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one

Base Information

• Chemical Name: (5Z)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
• CAS No.: 6021-45-0
• Molecular Formula: C16H12N4O5S
• Molecular Weight: 372.3553
• DSSTox Substance ID: DTXSID40417335
• Wikidata: Q82227174

Synonyms:6021-45-0;AC1NT6HY;DTXSID40417335;SMSF0011506;CB06209;BIM-0004173.P001;SR-01000225424;SR-01000225424-1

Chemical Property of (5Z)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one

Chemical Property:

• Density: 1.55g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 372.05284067
• Heavy Atom Count: 26
• Complexity: 608

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OC3=NC=C(C=C3)[N+](=O)[O-]
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N2)OC3=NC=C(C=C3)[N+](=O)[O-]

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