2-Pentanone, 4-isothiocyanato-4-methyl-

Base Information

• Chemical Name: 2-Pentanone, 4-isothiocyanato-4-methyl-
• CAS No.: 27248-25-5
• Molecular Formula: C7H11NOS
• Molecular Weight: 157.236
• DSSTox Substance ID: DTXSID10461860
• Nikkaji Number: J1.547.729F
• Mol file: 27248-25-5.mol

Synonyms:2-Pentanone, 4-isothiocyanato-4-methyl-;4-isothiocyanato-4-methyl-2-pentanone;27248-25-5;DTXSID10461860

Chemical Property of 2-Pentanone, 4-isothiocyanato-4-methyl-

Chemical Property:

• Boiling Point: 118 °C(Press: 15 Torr)
• PSA: 61.52000
• Density: 0.99±0.1 g/cm3(Predicted)
• LogP: 1.84690
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.05613515
• Heavy Atom Count: 10
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(C)(C)N=C=S