1-(2-Cyanoethyl)-1-phenylthiourea

Base Information

• Chemical Name: 1-(2-Cyanoethyl)-1-phenylthiourea
• CAS No.: 21320-97-8
• Molecular Formula: C10H11N3S
• Molecular Weight: 205.28
• DSSTox Substance ID: DTXSID60484049
• Wikidata: Q82322023
• Mol file: 21320-97-8.mol

Synonyms:21320-97-8;AGN-PC-0NICPQ;DTXSID60484049;AKOS000208076

Chemical Property of 1-(2-Cyanoethyl)-1-phenylthiourea

Chemical Property:

• Boiling Point: 384.7±44.0 °C(Predicted)
• PKA: 14.59±0.29(Predicted)
• PSA: 89.68000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 2.37098
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.06736854
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(CCC#N)C(=S)N