5-(methylsulfanyl)pyridin-2-amine

• ChemBase ID: 265855
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: n1c(N)ccc(c1)SC
• Canonical SMILES: CSc1ccc(nc1)N
• InChI: InChI=1S/C6H8N2S/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
• InChIKey: UCPYHIQIDQTSRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methylsulfanyl)pyridin-2-amine
• IUPAC Traditional name: 5-(methylsulfanyl)pyridin-2-amine
• Synonyms: 5-(methylsulfanyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11635954
• PubChem SID: 164321765
• PubChem CID: 15179797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.53713894
• LogD (pH = 7.4): 1.1308783
• Log P: 1.1493222
• Molar Refractivity: 41.6739 cm^3
• Polarizability: 15.452872 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.057

Product Information

• Purity: 95%