anthracene-9,10-dithiol

• ChemBase ID: 125551
• Molecular Formular: C14H10S2
• Molecular Mass: 242.3592
• Monoisotopic Mass: 242.02239232
• SMILES: Sc1c2c(cccc2)c(S)c2ccccc12
• Canonical SMILES: Sc1c2ccccc2c(c2c1cccc2)S
• InChI: InChI=1S/C14H10S2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
• InChIKey: QHWTVIYSEHVEKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracene-9,10-dithiol
• IUPAC Traditional name: 9,10-dithioanthracene
• Synonyms: 9,10-Dithioanthracene

Database IDs

• CAS Number: 86756-29-8
• PubChem SID: 162219901
• PubChem CID: 849498
• Wikipedia Title: 9,10-Dithioanthracene

CALCULATED PROPERTIES

• Acid pKa: 6.294029
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 4.07553
• LogD (pH = 7.4): 2.8338845
• Log P: 4.1386137
• Molar Refractivity: 74.978 cm^3
• Polarizability: 31.69801 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true