sulfuric acid; urea

• ChemBase ID: 111537
• Molecular Formular: CH6N2O5S
• Molecular Mass: 158.13374
• Monoisotopic Mass: 157.9997423
• SMILES: NC(=O)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.NC(=O)N
• InChI: InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)
• InChIKey: SSBRSHIQIANGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfuric acid; urea
• IUPAC Traditional name: sulfuric acid; urea
• Synonyms: UREA SULFATE

Database IDs

• CAS Number: 17103-31-0
• PubChem SID: 162096652
• PubChem CID: 159909

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219760

MP Biomedicals Rare Chemical collection