2-(thiophen-2-yl)ethanimidamide

• ChemBase ID: 308988
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: C(c1sccc1)C(=N)N
• Canonical SMILES: NC(=N)Cc1cccs1
• InChI: InChI=1S/C6H8N2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8)
• InChIKey: FGEMXCIELABZBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 28424-54-6
• MDL Number: MFCD05663384

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