barium(2+) ion $l^{4}-sulfanuidoylolate

• ChemBase ID: 109175
• Molecular Formular: BaHO3S
• Molecular Mass: 218.39814
• Monoisotopic Mass: 218.86988689
• SMILES: [Ba+2].[O-][SH-](=O)=O
• Canonical SMILES: [O-][SH-](=O)=O.[Ba+2]
• InChI: InChI=1S/Ba.O3S/c;1-4(2)3/q+2;-2
• InChIKey: WZFNIPCIPYTVQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion $l^{4}-sulfanuidoylolate
• IUPAC Traditional name: barium(2+) $l^{4}-sulfanuidoylolate
• Synonyms: BARIUM SULFONATE TECHNICAL GRADE

Database IDs

• CAS Number: 7787-39-5
• PubChem SID: 162096094
• PubChem CID: 6096951

CALCULATED PROPERTIES

• Acid pKa: -2.0146823
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.2142975
• LogD (pH = 7.4): -3.2143
• Log P: -0.9505
• Molar Refractivity: 10.0845 cm^3
• Polarizability: 5.2157283 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: TECHNICAL