3-isothiocyanato-1,5-dimethyl-1H-pyrazole

Base Information

• Chemical Name: 3-isothiocyanato-1,5-dimethyl-1H-pyrazole
• CAS No.: 1001500-57-7
• Molecular Formula: C6H7N3S
• Molecular Weight: 153.2
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID501271974
• Mol file: 1001500-57-7.mol

Synonyms:3-isothiocyanato-1,5-dimethyl-1H-pyrazole;1001500-57-7;3-isothiocyanato-1,5-dimethylpyrazole;DTXSID501271974;MFCD04969724;STK349594;AKOS000309860;FT-0708770;EN300-229472

Chemical Property of 3-isothiocyanato-1,5-dimethyl-1H-pyrazole

Chemical Property:

• Boiling Point: 285.6±28.0 °C(Predicted)
• PKA: 0.19±0.10(Predicted)
• PSA: 62.27000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 1.46280
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.03606841
• Heavy Atom Count: 10
• Complexity: 164

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C)N=C=S