6-(methylsulfanyl)pyridin-3-amine

• ChemBase ID: 268937
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: n1c(SC)ccc(c1)N
• Canonical SMILES: CSc1ccc(cn1)N
• InChI: InChI=1S/C6H8N2S/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3
• InChIKey: BEMNZDZGBAGRAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methylsulfanyl)pyridin-3-amine
• IUPAC Traditional name: 6-(methylsulfanyl)pyridin-3-amine
• Synonyms: 6-(methylsulfanyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD09757469
• PubChem SID: 164324847
• PubChem CID: 10261179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1394447
• LogD (pH = 7.4): 1.1491963
• Log P: 1.1493222
• Molar Refractivity: 41.6739 cm^3
• Polarizability: 15.465338 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.457

Product Information

• Purity: 95%