1,2-dithiolane

• ChemBase ID: 127164
• Molecular Formular: C3H6S2
• Molecular Mass: 106.20974
• Monoisotopic Mass: 105.99109219
• SMILES: S1SCCC1
• Canonical SMILES: C1CSSC1
• InChI: InChI=1S/C3H6S2/c1-2-4-5-3-1/h1-3H2
• InChIKey: MUZIZEZCKKMZRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dithiolane
• IUPAC Traditional name: dithiolane
• Synonyms: Dithiolane; 1,2-dithiolane; 1,3-dithiolane

Database IDs

• PubChem SID: 162221486
• PubChem CID: 79045
• CHEBI ID: 38226
• Chemspider ID: 71377
• Wikipedia Title: Dithiolane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.187042
• LogD (pH = 7.4): 1.187042
• Log P: 1.187042
• Molar Refractivity: 29.988 cm^3
• Polarizability: 11.691768 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true