2H-1,2,3-benzothiadiazine

• ChemBase ID: 126094
• Molecular Formular: C7H6N2S
• Molecular Mass: 150.20094
• Monoisotopic Mass: 150.0251692
• SMILES: c1ccc2SNN=Cc2c1
• Canonical SMILES: c1ccc2c(c1)C=NNS2
• InChI: InChI=1S/C7H6N2S/c1-2-4-7-6(3-1)5-8-9-10-7/h1-5,9H
• InChIKey: HAVZTGSQJIEKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-1,2,3-benzothiadiazine
• IUPAC Traditional name: benzothiadiazine
• Synonyms: Benzothiadiazine

Database IDs

• PubChem SID: 162220435
• PubChem CID: 19816131; 473368
• Chemspider ID: 10660057
• Wikipedia Title: Benzothiadiazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8860682
• LogD (pH = 7.4): 2.030867
• Log P: 2.0330641
• Molar Refractivity: 52.9861 cm^3
• Polarizability: 16.621965 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true