2-(thiophen-2-yl)ethanimidamide hydrochloride

• ChemBase ID: 55769
• Molecular Formular: C6H9ClN2S
• Molecular Mass: 176.66706
• Monoisotopic Mass: 176.01749698
• SMILES: C(c1sccc1)C(=N)N.Cl
• Canonical SMILES: NC(=N)Cc1cccs1.Cl
• InChI: InChI=1S/C6H8N2S.ClH/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H3,7,8);1H
• InChIKey: HSLBDBXGRIKBMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08752299
• PubChem SID: 162060532
• PubChem CID: 42614309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6286453
• LogD (pH = 7.4): -1.6245513
• Log P: 0.78676105
• Molar Refractivity: 48.6718 cm^3
• Polarizability: 14.529362 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.15

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%