6-(tert-butylsulfanyl)pyridine-2-carboximidamide

• ChemBase ID: 243623
• Molecular Formular: C10H15N3S
• Molecular Mass: 209.3112
• Monoisotopic Mass: 209.0986685
• SMILES: n1c(SC(C)(C)C)cccc1C(=N)N
• Canonical SMILES: NC(=N)c1cccc(n1)SC(C)(C)C
• InChI: InChI=1S/C10H15N3S/c1-10(2,3)14-8-6-4-5-7(13-8)9(11)12/h4-6H,1-3H3,(H3,11,12)
• InChIKey: WMZDCYOZVXCRNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tert-butylsulfanyl)pyridine-2-carboximidamide
• IUPAC Traditional name: 6-(tert-butylsulfanyl)pyridine-2-carboximidamide
• Synonyms: 6-(tert-butylsulfanyl)pyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD20367885
• PubChem SID: 164299533
• PubChem CID: 64595404

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.31691003
• LogD (pH = 7.4): 0.77182865
• Log P: 2.0271926
• Molar Refractivity: 72.2272 cm^3
• Polarizability: 23.552797 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.051

Product Information

• Purity: 95%