1,4-Benzothiazepine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 8
PubChem 22227744
Molecular Formula

C9H7NS

SMILES

C1=CC=C2C(=C1)C=NC=CS2

InChI

InChI=1S/C9H7NS/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-7H

synonyms
  • 1,4-Benzothiazepine
  • SCHEMBL38113
  • KYVHGCKMVJDCNV-UHFFFAOYSA-N
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Properties
Property Value
MW 161.23 g/mol
HBD 0
HBA 2
Rotatable Bond Count 0
Exact Mass 161.02992040 g/mol
Monoisotopic Mass 161.02992040 g/mol
Heavy Atom Count 11
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 186
xlogp 1.7
Topological Polar Surface Area 37.7