2-(4'-Isothiocyanatobenzyl)imidazoline

Base Information

• Chemical Name: 2-(4'-Isothiocyanatobenzyl)imidazoline
• CAS No.: 130262-94-1
• Molecular Formula: C11H11 N3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80156433
• Nikkaji Number: J412.568A
• ChEMBL ID: CHEMBL59034
• Mol file: 130262-94-1.mol

Synonyms:2-(4'-isothiocyanatobenzyl)imidazoline;2-IBI

Chemical Property of 2-(4'-Isothiocyanatobenzyl)imidazoline

Chemical Property:

• Boiling Point: 444.2°Cat760mmHg
• Flash Point: 222.4°C
• PSA: 68.84000
• Density: 1.23g/cm³
• LogP: 1.72950
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.06736854
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)CC2=CC=C(C=C2)N=C=S

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