potassium (thiophen-2-ylformamido)olate

• ChemBase ID: 231456
• Molecular Formular: C5H4KNO2S
• Molecular Mass: 181.25406
• Monoisotopic Mass: 180.95998105
• SMILES: C(=O)(c1sccc1)N[O-].[K+]
• Canonical SMILES: [O-]NC(=O)c1cccs1.[K+]
• InChI: InChI=1S/C5H4NO2S.K/c7-5(6-8)4-2-1-3-9-4;/h1-3H,(H-,6,7,8);/q-1;+1
• InChIKey: DMWFADVZYMFOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (thiophen-2-ylformamido)olate
• IUPAC Traditional name: potassium thiophen-2-ylformamidoolate
• Synonyms: Thiophene-2-carboxylic acid hydroxyamide

Database IDs

• MDL Number: MFCD08262486
• PubChem SID: 164287366
• PubChem CID: 23681034

CALCULATED PROPERTIES

• Acid pKa: 9.050782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7334646
• LogD (pH = 7.4): 0.7240678
• Log P: 0.7335858
• Molar Refractivity: 32.6692 cm^3
• Polarizability: 12.296177 Å^3
• Polar Surface Area: 52.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.217

Product Information

• Purity: 95%