4-(methylsulfanyl)pyridine-2-carboximidamide hydrochloride

• ChemBase ID: 246385
• Molecular Formular: C7H10ClN3S
• Molecular Mass: 203.6924
• Monoisotopic Mass: 203.02839602
• SMILES: C(=N)(c1cc(SC)ccn1)N.Cl
• Canonical SMILES: CSc1ccnc(c1)C(=N)N.Cl
• InChI: InChI=1S/C7H9N3S.ClH/c1-11-5-2-3-10-6(4-5)7(8)9;/h2-4H,1H3,(H3,8,9);1H
• InChIKey: RLSJQANMEQVWDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methylsulfanyl)pyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(methylsulfanyl)pyridine-2-carboximidamide hydrochloride
• Synonyms: 4-(methylsulfanyl)pyridine-2-carboximidamide hydrochloride

Database IDs

• PubChem SID: 164302295
• PubChem CID: 71757972

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6323401
• LogD (pH = 7.4): -0.45374882
• Log P: 0.6901093
• Molar Refractivity: 57.9605 cm^3
• Polarizability: 18.009155 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 0.414

Product Information

• Purity: 95%