3-(1,3-Benzothiazol-2-yl)butan-2-one

Base Information

• Chemical Name: 3-(1,3-Benzothiazol-2-yl)butan-2-one
• CAS No.: 6269-44-9
• Molecular Formula: C11H11NOS
• Molecular Weight: 205.28
• NSC Number: 33751
• DSSTox Substance ID: DTXSID20283853
• Mol file: 6269-44-9.mol

Synonyms:3-(1,3-benzothiazol-2-yl)butan-2-one;6269-44-9;2-Butanone,3-(2-benzothiazolyl)-(9CI);NSC33751;DTXSID20283853;NSC-33751;AKOS012499218;CS-0265541;EN300-99207;Z1098220825

Chemical Property of 3-(1,3-Benzothiazol-2-yl)butan-2-one

Chemical Property:

• Vapor Pressure: 0.000545mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 312 °C at 760 mmHg
• Flash Point: 142.5 °C
• PSA: 58.20000
• Density: 1.207 g/cm³
• LogP: 2.98880
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.05613515
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

3-(1,3-benzothiazol-2-yl)butan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=NC2=CC=CC=C2S1)C(=O)C