2-(thiophen-3-yl)ethanimidamide hydrochloride

• ChemBase ID: 269469
• Molecular Formular: C6H9ClN2S
• Molecular Mass: 176.66706
• Monoisotopic Mass: 176.01749698
• SMILES: s1cc(cc1)CC(=N)N.Cl
• Canonical SMILES: NC(=N)Cc1cscc1.Cl
• InChI: InChI=1S/C6H8N2S.ClH/c7-6(8)3-5-1-2-9-4-5;/h1-2,4H,3H2,(H3,7,8);1H
• InChIKey: LGKYQTNNWDYPBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-3-yl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(thiophen-3-yl)ethanimidamide hydrochloride
• Synonyms: 2-(thiophen-3-yl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD08752300
• PubChem SID: 164325379
• PubChem CID: 19377687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7611123
• LogD (pH = 7.4): -1.7591646
• Log P: 0.6543216
• Molar Refractivity: 48.8877 cm^3
• Polarizability: 14.527412 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 0.15

Product Information

• Purity: 95%