1-(Benzo[d]thiazol-5-yl)ethanone

Base Information

• Chemical Name: 1-(Benzo[d]thiazol-5-yl)ethanone
• CAS No.: 90347-90-3
• Molecular Formula: C9H7NOS
• Molecular Weight: 177.22298
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID50441681
• Nikkaji Number: J984.593C
• Wikidata: Q72439927
• Mol file: 90347-90-3.mol

Synonyms:1-(Benzo[d]thiazol-5-yl)ethanone;90347-90-3;1-(1,3-benzothiazol-5-yl)ethanone;Ethanone, 1-(5-benzothiazolyl)-;1-(benzo[d]thiazol-5-yl)ethan-1-one;5-Benzothiazolyl methyl Ketone;1-(5-BENZOTHIAZOLYL)ETHANONE;SCHEMBL8861663;Ethanone,1-(5-benzothiazolyl)-;DTXSID50441681;AMY26891;MFCD12408382;AKOS016007013;1-(1,3-benzothiazol-5-yl)ethan-1-one;AS-49963;CS-0005567;FT-0720214;O10315;A904356

Chemical Property of 1-(Benzo[d]thiazol-5-yl)ethanone

Chemical Property:

• Boiling Point: 310.549 °C at 760 mmHg
• PKA: -0.25±0.10(Predicted)
• Flash Point: 141.616 °C
• PSA: 58.20000
• Density: 1.286 g/cm³
• LogP: 2.49890
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.02483502
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

98%, ^*data from raw suppliers

1-(Benzo[d]thiazol-5-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC=N2