3-(hydroxyamino)-1λ6-thiolane-1,1-dione

• ChemBase ID: 306527
• Molecular Formular: C4H9NO3S
• Molecular Mass: 151.18416
• Monoisotopic Mass: 151.03031415
• SMILES: S1(=O)(=O)CC(CC1)NO
• Canonical SMILES: ONC1CCS(=O)(=O)C1
• InChI: InChI=1S/C4H9NO3S/c6-5-4-1-2-9(7,8)3-4/h4-6H,1-3H2
• InChIKey: NHXXQVLCEBOADI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hydroxyamino)-1λ^6-thiolane-1,1-dione
• IUPAC Traditional name: 3-(hydroxyamino)-1λ^6-thiolane-1,1-dione
• Synonyms: 3-(hydroxyamino)tetrahydrothiophene 1,1-dioxide

Database IDs

• CAS Number: 399044-17-8
• MDL Number: MFCD09055178

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.7367724
• Log P: -1.7367367
• Molar Refractivity: 42.7272 cm^3
• Polarizability: 13.809558 Å^3
• Polar Surface Area: 66.4 Å^2
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7395599