2,2-bis(ethanesulfonyl)propane

• ChemBase ID: 129649
• Molecular Formular: C7H16O4S2
• Molecular Mass: 228.32954
• Monoisotopic Mass: 228.04900099
• SMILES: O=S(=O)(C(C)(C)S(=O)(=O)CC)CC
• Canonical SMILES: CCS(=O)(=O)C(S(=O)(=O)CC)(C)C
• InChI: InChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3
• InChIKey: CESKLHVYGRFMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(ethanesulfonyl)propane
• IUPAC Traditional name: sulfonmethane
• Synonyms: Sulfonmethane

Database IDs

• CAS Number: 115-24-2
• PubChem SID: 162223938
• PubChem CID: 8262
• Chemspider ID: 7964
• Unique Ingredient Identifier: W00D22B592
• Wikipedia Title: Sulfonmethane

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.25464222
• LogD (pH = 7.4): -0.25464222
• Log P: -0.25464222
• Molar Refractivity: 52.6038 cm^3
• Polarizability: 22.071964 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Schedule III (US)