1-(2-Chloro-benzyl)-3-isothiocyanato-1H-pyrazole

Base Information

• Chemical Name: 1-(2-Chloro-benzyl)-3-isothiocyanato-1H-pyrazole
• CAS No.: 1004194-44-8
• Molecular Formula: C11H8ClN3S
• Molecular Weight: 249.72
• DSSTox Substance ID: DTXSID401205695
• Mol file: 1004194-44-8.mol

Synonyms:1004194-44-8;1-(2-Chloro-benzyl)-3-isothiocyanato-1H-pyrazole;1-(2-chlorobenzyl)-3-isothiocyanato-1H-pyrazole;1-[(2-Chlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole;1-[(2-chlorophenyl)methyl]-3-isothiocyanatopyrazole;DTXSID401205695;BBL038829;MFCD04968680;STK312610;AKOS000307028;EN300-229217

Chemical Property of 1-(2-Chloro-benzyl)-3-isothiocyanato-1H-pyrazole

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.0127461
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

1-(2-CHLORO-BENZYL)-3-ISOTHIOCYANATO-1H-PYRAZOLE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN2C=CC(=N2)N=C=S)Cl