5-Isothiocyanato-1-methyl-1H-pyrazole

Base Information

• Chemical Name: 5-Isothiocyanato-1-methyl-1H-pyrazole
• CAS No.: 114874-31-6
• Molecular Formula: C5H5N3S
• DSSTox Substance ID: DTXSID40558055
• Mol file: 114874-31-6.mol

Synonyms:114874-31-6;5-Isothiocyanato-1-methyl-1H-pyrazole;1H-Pyrazole, 5-isothiocyanato-1-methyl-;1-methyl-5-pyrazolylisothiocyanate;5-ISOTHIOCYANATO-1-METHYLPYRAZOLE;SCHEMBL9373386;DTXSID40558055;HOYIXCWFHCAPED-UHFFFAOYSA-N;MFCD26402642;SY326220;EN300-7251033

Chemical Property of 5-Isothiocyanato-1-methyl-1H-pyrazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.02041835
• Heavy Atom Count: 9
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)N=C=S