2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]-N-phenylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]-N-phenylhydrazinecarbothioamide
• CAS No.: 5889-55-4
• Molecular Formula: C16H17N7O3S
• Molecular Weight: 387.4163
• NSC Number: 294714
• DSSTox Substance ID: DTXSID10974389

Synonyms:70883-30-6;5889-55-4;NSC294714;CBMicro_036116;C16H17N7O3S;DTXSID10974389;STL070994;AKOS000554966;NSC-294714;BIM-0036131.P001;SR-01000315704;SR-01000315704-1;2-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetyl)-N-phenylhydrazinecarbothioamide;2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]-N-phenylhydrazinecarbothioamide;2-[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-1-hydroxyethylidene]-N-phenylhydrazine-1-carboximidothioic acid

Chemical Property of 2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]-N-phenylhydrazinecarbothioamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.52g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 387.11135860
• Heavy Atom Count: 27
• Complexity: 625

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NNC(=S)NC3=CC=CC=C3

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