molybdenumoylthiol

• ChemBase ID: 3017
• Molecular Formular: HMoO2S
• Molecular Mass: 161.03174
• Monoisotopic Mass: 162.87513327
• SMILES: S[Mo](=O)=O
• Canonical SMILES: S[Mo](=O)=O
• InChI: InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1
• InChIKey: BDSRWPHSAKXXRG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: molybdenumoylthiol
• IUPAC Traditional name: @dioxothiomolybdenum(VI) ion
• Synonyms: dioxothiomolybdenum(VI) ion

Database IDs

• PubChem SID: 160966464; 46508283
• PubChem CID: 5162682

CALCULATED PROPERTIES

• Acid pKa: 8.65283
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30229378
• LogD (pH = 7.4): -0.32469228
• Log P: -0.302
• Molar Refractivity: 9.4416 cm^3
• Polarizability: 9.373275 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB03328

Drug information: experimental