1-Benzothiepin

Base Information

• Chemical Name: 1-Benzothiepin
• CAS No.: 264-82-4
• Molecular Formula: C10H8S
• Molecular Weight: 160.24
• DSSTox Substance ID: DTXSID40431435
• Nikkaji Number: J1.153.658A
• Mol file: 264-82-4.mol

Synonyms:1-Benzothiepin;benzothiepine;Benzothiepin;264-82-4;SCHEMBL348197;DTXSID40431435

Chemical Property of 1-Benzothiepin

Chemical Property:

• Boiling Point: 275.4±23.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.144±0.06 g/cm3(Predicted)
• LogP: 3.31920
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.03467143
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=CS2