1,3-dithietane

• ChemBase ID: 125129
• Molecular Formular: C2H4S2
• Molecular Mass: 92.18316
• Monoisotopic Mass: 91.97544213
• SMILES: S1CSC1
• Canonical SMILES: S1CSC1
• InChI: InChI=1S/C2H4S2/c1-3-2-4-1/h1-2H2
• InChIKey: ITXACGPMGJCSKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dithietane
• IUPAC Traditional name: 1,3-dithietane
• Synonyms: 1,3-Dithietane

Database IDs

• CAS Number: 287-53-6
• PubChem SID: 162219479
• PubChem CID: 136129
• Chemspider ID: 119906
• Wikipedia Title: 1,3-Dithietane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1872674
• LogD (pH = 7.4): 1.1872674
• Log P: 1.1872674
• Molar Refractivity: 24.2316 cm^3
• Polarizability: 9.820809 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true