(E)-N'-hydroxythiophene-3-carboximidamide

• ChemBase ID: 300253
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: c1cscc1/C(=N\O)/N
• Canonical SMILES: O/N=C(\c1cscc1)/N
• InChI: InChI=1S/C5H6N2OS/c6-5(7-8)4-1-2-9-3-4/h1-3,8H,(H2,6,7)
• InChIKey: KLQUDAATMCQZEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxythiophene-3-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxythiophene-3-carboximidamide
• Synonyms: Thiophene-3-carboxamidoxime

Database IDs

• MDL Number: MFCD01313358

CALCULATED PROPERTIES

• Acid pKa: 11.23834
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6628661
• LogD (pH = 7.4): 0.67080796
• Log P: 0.6709745
• Molar Refractivity: 36.186 cm^3
• Polarizability: 13.423409 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%