6-Methoxybenzo[B]thiophen-3(2H)-one

Base Information

• Chemical Name: 6-Methoxybenzo[B]thiophen-3(2H)-one
• CAS No.: 5858-22-0
• Molecular Formula: C₉H₈O₂S
• Molecular Weight: 180.227
• DSSTox Substance ID: DTXSID60477592
• Wikidata: Q82310383
• Mol file: 5858-22-0.mol

Synonyms:5858-22-0;6-METHOXYBENZO[B]THIOPHEN-3(2H)-ONE;6-methoxy-1-benzothiophen-3-one;6-Methoxy-benzo[b]thiophen-3-one;SCHEMBL68574;DTXSID60477592;UXEJVCIWCVCHOZ-UHFFFAOYSA-N;MFCD18974641;SB37800;FT-0706006;6-methoxy-2,3-dihydro-1-benzothiophen-3-one

Chemical Property of 6-Methoxybenzo[B]thiophen-3(2H)-one

Chemical Property:

• PSA: 51.60000
• LogP: 1.98360
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.02450067
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

6-Methoxy-benzo[b]thiophen-3-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)CS2