2-(3-Methyl-benzyl)-1,3-diphenyl-isothiourea

Base Information

• Chemical Name: 2-(3-Methyl-benzyl)-1,3-diphenyl-isothiourea
• CAS No.: 817172-39-7
• Molecular Formula: C21H20N2S
• Molecular Weight: 332.5
• DSSTox Substance ID: DTXSID701211124
• Mol file: 817172-39-7.mol

Synonyms:817172-39-7;3-Methylbenzyl N,N'-diphenylcarbamimidothioate;2-(3-Methyl-benzyl)-1,3-diphenyl-isothiourea;(3-methylphenyl)methyl N,N'-diphenylcarbamimidothioate;DTXSID701211124;3-MethylbenzylN,N'-diphenylcarbamimidothioate

Chemical Property of 2-(3-Methyl-benzyl)-1,3-diphenyl-isothiourea

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 332.13471982
• Heavy Atom Count: 24
• Complexity: 383

Purity/Quality:

3-MethylbenzylN,N'-diphenylcarbamimidothioate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CSC(=NC2=CC=CC=C2)NC3=CC=CC=C3