ethane(thioperoxoic) OS-acid

• ChemBase ID: 180321
• Molecular Formular: C2H4O2S
• Molecular Mass: 92.11696
• Monoisotopic Mass: 91.99320037
• SMILES: SOC(=O)C
• Canonical SMILES: CC(=O)OS
• InChI: InChI=1S/C2H4O2S/c1-2(3)4-5/h5H,1H3
• InChIKey: AAMCVENDCXWDPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane(thioperoxoic) OS-acid
• IUPAC Traditional name: ethane(thioperoxoic) OS-acid
• Synonyms: Ethoxysulfuron

Database IDs

• CAS Number: 126801-58-9
• PubChem SID: 164236231
• PubChem CID: 22172813

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.44127157
• LogD (pH = 7.4): 0.44127157
• Log P: 0.44127157
• Molar Refractivity: 18.2719 cm^3
• Polarizability: 8.343115 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true