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8-Bromo-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Base Information
  • Chemical Name:8-Bromo-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
  • CAS No.:110766-85-3
  • Molecular Formula:C9H8BrNOS
  • Molecular Weight:258.13500
  • Hs Code.:
  • DSSTox Substance ID:DTXSID30550104
  • Wikidata:Q82429320
  • Mol file:110766-85-3.mol
8-Bromo-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Synonyms:110766-85-3;8-Bromo-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one;8-Bromo-2,3-dihydro-1,5-benzothiazepin-4(5H)-one;DTXSID30550104;EN300-360538

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Chemical Property of 8-Bromo-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Property:
  • Melting Point:211-214 °C(Solv: ethanol (64-17-5)) 
  • Boiling Point:405.4±45.0 °C(Predicted) 
  • PSA:57.89000 
  • Density:1.591±0.06 g/cm3(Predicted) 
  • LogP:2.96850 
  • XLogP3:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:0
  • Exact Mass:256.95100
  • Heavy Atom Count:13
  • Complexity:212
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1CSC2=C(C=CC(=C2)Br)NC1=O
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