dithioperoxol

• ChemBase ID: 127743
• Molecular Formular: H2S2
• Molecular Mass: 66.14588
• Monoisotopic Mass: 65.95979206
• SMILES: SS
• Canonical SMILES: SS
• InChI: InChI=1S/H2S2/c1-2/h1-2H
• InChIKey: BWGNESOTFCXPMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dithioperoxol
• IUPAC Traditional name: disulfane
• Synonyms: Hydrogen disulphide; Hydrogen persulfide; Hydrogen persulphide; Hydrogen disulfide

Database IDs

• CAS Number: 13465-07-1
• PubChem SID: 162222061
• PubChem CID: 108196
• CHEBI ID: 33114
• Chemspider ID: 97274
• Wikipedia Title: Hydrogen_disulfide

CALCULATED PROPERTIES

• Acid pKa: 9.230152
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 1.043881
• LogD (pH = 7.4): 1.0377691
• Log P: 1.0439596
• Molar Refractivity: 13.1116 cm^3
• Polarizability: 6.8827424 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow liquid
• Melting Point: -89.6°C
• Boiling Point: 70.7°C
• Flash Point: flammable
• Density: 1.334 g cm^-3