thiophene-3-carboximidamide hydrochloride

• ChemBase ID: 83142
• Molecular Formular: C5H7ClN2S
• Molecular Mass: 162.64048
• Monoisotopic Mass: 162.00184691
• SMILES: s1cc(C(=N)N)cc1.Cl
• Canonical SMILES: NC(=N)c1cscc1.Cl
• InChI: InChI=1S/C5H6N2S.ClH/c6-5(7)4-1-2-8-3-4;/h1-3H,(H3,6,7);1H
• InChIKey: CAUZIIYPBLBRFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-3-carboximidamide hydrochloride
• IUPAC Traditional name: thiophene-3-carboximidamide hydrochloride
• Synonyms: 3-thiophenecarboximidamide hydrochloride; thiophene-3-carboximidamide hydrochloride; Thiophene-3-carboximidamide hydrochloride; Thiophene-3-carboxamidine hydrochloride

Database IDs

• CAS Number: 51528-02-0
• MDL Number: MFCD01940341
• PubChem SID: 162070261
• PubChem CID: 2779692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7390813
• LogD (pH = 7.4): -1.593105
• Log P: 0.67415625
• Molar Refractivity: 44.8363 cm^3
• Polarizability: 12.68666 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C; 97-98°C
• Hydrophobicity(logP): 0.416

Safety Information

• Storage Warning: Harmful/Keep Cold

Product Information

• Purity: 95%