5,5-Dimethyl-2-thiobarbituric acid

Base Information

• Chemical Name: 5,5-Dimethyl-2-thiobarbituric acid
• CAS No.: 7729-78-4
• Molecular Formula: C₆H₈N₂O₂S
• Molecular Weight: 172.208
• DSSTox Substance ID: DTXSID80873597
• Nikkaji Number: J1.583.290H
• Wikidata: Q81981135

Synonyms:7729-78-4;SCHEMBL8991935;DTXSID80873597;5,5-Dimethyl-2-thiobarbituric acid;5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;5,5-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

Chemical Property of 5,5-Dimethyl-2-thiobarbituric acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.03064868
• Heavy Atom Count: 11
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=O)NC(=S)NC1=O)C

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