5-Ethyl-5-(1-methylhexyl)-2-thiobarbituric acid

Base Information

• Chemical Name: 5-Ethyl-5-(1-methylhexyl)-2-thiobarbituric acid
• CAS No.: 66968-85-2
• Molecular Formula: C13H22N2O2S
• Molecular Weight: 270.391
• DSSTox Substance ID: DTXSID30985775
• Nikkaji Number: J105.594A
• Mol file: 66968-85-2.mol

Synonyms:5-Ethyl-5-(1-methylhexyl)-2-thiobarbituric acid;66968-85-2;BARBITURIC ACID, 5-ETHYL-5-(1-METHYLHEXYL)-2-THIO-;DTXSID30985775;LS-24407;5-Ethyl-5-(heptan-2-yl)-4,6-dihydroxypyrimidine-2(5H)-thione;4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylhexyl)-2-thioxo-;5-Ethyl-2,3-dihydro-5-(1-methylhexyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione

Chemical Property of 5-Ethyl-5-(1-methylhexyl)-2-thiobarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 7.13±0.40(Predicted)
• Flash Point: °C
• PSA: 97.27000
• Density: 1.12g/cm³
• LogP: 2.68190
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 270.14019912
• Heavy Atom Count: 18
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C1(C(=O)NC(=S)NC1=O)CC

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