sulfonylidenemethane

• ChemBase ID: 129647
• Molecular Formular: CH2O2S
• Molecular Mass: 78.09038
• Monoisotopic Mass: 77.9775503
• SMILES: C=S(=O)=O
• Canonical SMILES: C=S(=O)=O
• InChI: InChI=1S/CH2O2S/c1-4(2)3/h1H2
• InChIKey: LZOZLBFZGFLFBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfonylidenemethane
• IUPAC Traditional name: sulfene
• Synonyms: Thioformaldehyde-S,S-dioxide; Sulfene

Database IDs

• CAS Number: 917-73-7
• PubChem SID: 162223936
• PubChem CID: 12244237
• Chemspider ID: 10645700
• Wikipedia Title: Sulfene

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0274265
• LogD (pH = 7.4): 1.0274265
• Log P: 1.0274265
• Molar Refractivity: 13.6295 cm^3
• Polarizability: 6.3808146 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true