5-Methoxy-1-benzothiepine

Base Information

• Chemical Name: 5-Methoxy-1-benzothiepine
• CAS No.: 96722-16-6
• Molecular Formula: C11H10OS
• Molecular Weight: 190.266
• DSSTox Substance ID: DTXSID30539772

Synonyms:5-Methoxy-1-benzothiepine;96722-16-6;DTXSID30539772

Chemical Property of 5-Methoxy-1-benzothiepine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.04523611
• Heavy Atom Count: 13
• Complexity: 232

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CSC2=CC=CC=C12

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