2H-1,4-benzothiazine

• ChemBase ID: 126095
• Molecular Formular: C8H7NS
• Molecular Mass: 149.21288
• Monoisotopic Mass: 149.02992023
• SMILES: C1C=Nc2ccccc2S1
• Canonical SMILES: C1=Nc2c(SC1)cccc2
• InChI: InChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5H,6H2
• InChIKey: FBOSKQVOIHEWAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-1,4-benzothiazine
• IUPAC Traditional name: benzothiazine
• Synonyms: 1,4-benzothiazine; Benzothiazine

Database IDs

• PubChem SID: 162220436
• PubChem CID: 3088997, 12805862; 3088997
• Wikipedia Title: Benzothiazine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.787131
• LogD (pH = 7.4): 1.7978702
• Log P: 1.7980089
• Molar Refractivity: 46.8113 cm^3
• Polarizability: 17.049093 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true