9H-thioxanthene

• ChemBase ID: 130318
• Molecular Formular: C13H10S
• Molecular Mass: 198.2835
• Monoisotopic Mass: 198.05032132
• SMILES: S1c2ccccc2Cc2c1cccc2
• Canonical SMILES: c1ccc2c(c1)Sc1c(C2)cccc1
• InChI: InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
• InChIKey: PQJUJGAVDBINPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-thioxanthene
• IUPAC Traditional name: thioxanthene
• Synonyms: 10H-dibenzo(b,e)thiin; Thioxanthene

Database IDs

• CAS Number: 261-31-4
• PubChem SID: 162224597
• PubChem CID: 67495
• CHEBI ID: 51055
• CHEMBL: 79451
• Chemspider ID: 60819
• Wikipedia Title: Thioxanthene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2805433
• LogD (pH = 7.4): 4.2805433
• Log P: 4.2805433
• Molar Refractivity: 62.4213 cm^3
• Polarizability: 24.05927 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true