1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea

Base Information

• Chemical Name: 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
• CAS No.: 18161-99-4
• Molecular Formula: C12H18N8O2S2
• Molecular Weight: 370.4537
• NSC Number: 92422
• DSSTox Substance ID: DTXSID60429910

Synonyms:NSC92422;18161-99-4;DTXSID60429910;NSC-92422

Chemical Property of 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea

Chemical Property:

• Boiling Point: 526.1°Cat760mmHg
• Flash Point: 272°C
• Density: 1.43g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 370.09941419
• Heavy Atom Count: 24
• Complexity: 590

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NN=CCN1C=CC(=O)N(C1=O)CC=NNC(=S)NC
• Isomeric SMILES: CNC(=S)N/N=C/CN1C=CC(=O)N(C1=O)C/C=N/NC(=S)NC

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