1,2-dithietane

• ChemBase ID: 125111
• Molecular Formular: C2H4S2
• Molecular Mass: 92.18316
• Monoisotopic Mass: 91.97544213
• SMILES: C1CSS1
• Canonical SMILES: C1CSS1
• InChI: InChI=1S/C2H4S2/c1-2-4-3-1/h1-2H2
• InChIKey: UPNNXUSUOSTIIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dithietane
• IUPAC Traditional name: 1,2-dithietane
• Synonyms: 1,2-Dithietane

Database IDs

• PubChem SID: 162219461
• PubChem CID: 12309283
• Chemspider ID: 11270017
• Wikipedia Title: 1,2-Dithietane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.66967934
• LogD (pH = 7.4): 0.66967934
• Log P: 0.66967934
• Molar Refractivity: 25.3434 cm^3
• Polarizability: 9.850474 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true