4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonyl chloride

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonyl chloride
• CAS No.: 95461-22-6
• Molecular Formula: C9H9ClOS
• Molecular Weight: 200.68500
• DSSTox Substance ID: DTXSID70536164
• Wikidata: Q82410745
• Mol file: 95461-22-6.mol

Synonyms:4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl chloride;95461-22-6;4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carbonyl chloride;DTXSID70536164;MFCD12197869;AKOS005173259;VS-04740;A916638;4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carbonylchloride

Chemical Property of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonyl chloride

Chemical Property:

• PSA: 45.31000
• LogP: 3.00590
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 200.0062638
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

4,5,6,7-Tetrahydro-1-benzothiophene-3-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=CS2)C(=O)Cl

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