thiophene-2-carboximidamide hydrochloride

• ChemBase ID: 54335
• Molecular Formular: C5H7ClN2S
• Molecular Mass: 162.64048
• Monoisotopic Mass: 162.00184691
• SMILES: c1(cccs1)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1cccs1.Cl
• InChI: InChI=1S/C5H6N2S.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
• InChIKey: URAGJMBGNVOIJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-2-carboximidamide hydrochloride
• IUPAC Traditional name: thiophene-2-carboximidamide hydrochloride
• Synonyms: Thiophene-2-carboximidamide hydrochloride; Thiophene-2-carboxamidine hydrochloride

Database IDs

• CAS Number: 54610-70-7
• MDL Number: MFCD00173786
• PubChem SID: 162059098
• PubChem CID: 2781759

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5792958
• LogD (pH = 7.4): -0.7973244
• Log P: 0.8065957
• Molar Refractivity: 44.6204 cm^3
• Polarizability: 12.692938 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 0.416

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%