(2-ethyl-7H-purin-6-yl)thiourea

Base Information

• Chemical Name: (2-ethyl-7H-purin-6-yl)thiourea
• CAS No.: 500285-04-1
• Molecular Formula: C8H10N6S
• Molecular Weight: 222.2702
• NSC Number: 25727
• DSSTox Substance ID: DTXSID80396554
• Wikidata: Q82197324
• Mol file: 500285-04-1.mol

Synonyms:500285-04-1;1-(2-ethyl-7H-purin-6-yl)thiourea;(2-ethyl-7H-purin-6-yl)thiourea;DTXSID80396554;NSC25727;NSC-25727

Chemical Property of (2-ethyl-7H-purin-6-yl)thiourea

Chemical Property:

• PKA: 10.02±0.10(Predicted)
• PSA: 129.14000
• Density: 1.559±0.06 g/cm3(Predicted)
• LogP: 1.36450
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.06876552
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=C(C(=N1)NC(=S)N)NC=N2