2-(methylsulfanyl)pyridin-3-amine

• ChemBase ID: 309708
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: c1(ncccc1N)SC
• Canonical SMILES: CSc1ncccc1N
• InChI: InChI=1S/C6H8N2S/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
• InChIKey: DTXJLRUDJQKXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)pyridin-3-amine
• IUPAC Traditional name: 2-(methylsulfanyl)pyridin-3-amine
• Synonyms: 2-(methylthio)-3-pyridinamine

Database IDs

• CAS Number: 38240-22-1
• MDL Number: MFCD09839687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1365707
• LogD (pH = 7.4): 1.1491591
• Log P: 1.1493222
• Molar Refractivity: 41.6739 cm^3
• Polarizability: 15.469693 Å^3
• Polar Surface Area: 38.91 Å^2