5-chlorothiophene-2-carboximidamide

• ChemBase ID: 262119
• Molecular Formular: C5H5ClN2S
• Molecular Mass: 160.6246
• Monoisotopic Mass: 159.98619685
• SMILES: c1(sc(cc1)Cl)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(s1)Cl
• InChI: InChI=1S/C5H5ClN2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H3,7,8)
• InChIKey: PRXKSKFBKYEQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chlorothiophene-2-carboximidamide
• IUPAC Traditional name: 5-chlorothiophene-2-carboximidamide
• Synonyms: 5-chlorothiophene-2-carboximidamide

Database IDs

• MDL Number: MFCD11179497
• PubChem SID: 164318029
• PubChem CID: 11206390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7530073
• LogD (pH = 7.4): 0.39867178
• Log P: 1.5766363
• Molar Refractivity: 48.5851 cm^3
• Polarizability: 14.678991 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.214

Product Information

• Purity: 95%