N-hydroxythiophene-2-carboxamide

• ChemBase ID: 258101
• Molecular Formular: C5H5NO2S
• Molecular Mass: 143.1637
• Monoisotopic Mass: 143.00409941
• SMILES: C(=O)(c1sccc1)NO
• Canonical SMILES: ONC(=O)c1cccs1
• InChI: InChI=1S/C5H5NO2S/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7)
• InChIKey: XNSXTZGRPNUMTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxythiophene-2-carboxamide
• IUPAC Traditional name: N-hydroxythiophene-2-carboxamide
• Synonyms: N-hydroxythiophene-2-carboxamide

Database IDs

• MDL Number: MFCD03551071
• PubChem SID: 164314011
• PubChem CID: 239511

CALCULATED PROPERTIES

• Acid pKa: 9.050782
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7334646
• LogD (pH = 7.4): 0.7240678
• Log P: 0.7335858
• Molar Refractivity: 33.7909 cm^3
• Polarizability: 12.57588 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%