3-Ethyl-1-benzothiophene 1,1-dioxide

Base Information

• Chemical Name: 3-Ethyl-1-benzothiophene 1,1-dioxide
• CAS No.: 16958-00-2
• Molecular Formula: C10H10O2S
• DSSTox Substance ID: DTXSID70396548
• Wikidata: Q82197316
• ChEMBL ID: CHEMBL4564098
• Mol file: 16958-00-2.mol

Synonyms:STK370113;3-ethyl-1-benzothiophene 1,1-dioxide;3-ethylbenzothiophene dioxide;16958-00-2;CHEMBL4564098;SCHEMBL13413277;DTXSID70396548;AKOS005445276

Chemical Property of 3-Ethyl-1-benzothiophene 1,1-dioxide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.04015073
• Heavy Atom Count: 13
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CS(=O)(=O)C2=CC=CC=C21