CID 71752546

Base Information

• Chemical Name: CID 71752546
• CAS No.: 1330823-16-9
• Molecular Formula: C5H4N4O2S
• Molecular Weight: 187.16
• Mol file: 1330823-16-9.mol

Synonyms:1330823-16-9;6-Thioxo-1,6,7,9-tetrahydro-2H-purine-2,8(3H)-dione-5,6,8-13C3

Chemical Property of CID 71752546

Chemical Property:

• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly, Heated), Water
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.01556106
• Heavy Atom Count: 12
• Complexity: 334

Purity/Quality:

Thiouric Acid-13C3 Sodium Salt Dihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C12=C(NC(=O)N1)NC(=O)NC2=S
• Isomeric SMILES: C12=[13C]([13C](=S)NC(=O)N1)N[13C](=O)N2
• Uses: A labelled metabolite of Azathioprine.