(E)-N'-hydroxythiophene-2-carboximidamide

• ChemBase ID: 241722
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: C(=N\O)(\c1sccc1)/N
• Canonical SMILES: O/N=C(\c1cccs1)/N
• InChI: InChI=1S/C5H6N2OS/c6-5(7-8)4-2-1-3-9-4/h1-3,8H,(H2,6,7)
• InChIKey: NKMNPRXPUZINOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-hydroxythiophene-2-carboximidamide
• IUPAC Traditional name: (E)-N'-hydroxythiophene-2-carboximidamide
• Synonyms: N'-hydroxythiophene-2-carboximidamide

Database IDs

• CAS Number: 53370-51-7
• MDL Number: MFCD06655239
• PubChem SID: 164297632
• PubChem CID: 6029670

CALCULATED PROPERTIES

• Acid pKa: 10.246164
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.80282074
• LogD (pH = 7.4): 0.80279016
• Log P: 0.8034139
• Molar Refractivity: 35.9701 cm^3
• Polarizability: 13.428682 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 0.67

Product Information

• Purity: 95%