2-(methylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine

• ChemBase ID: 288180
• Molecular Formular: C7H6N2S2
• Molecular Mass: 182.26594
• Monoisotopic Mass: 181.9972402
• SMILES: CSc1nc2c(s1)nccc2
• Canonical SMILES: CSc1nc2c(s1)nccc2
• InChI: InChI=1S/C7H6N2S2/c1-10-7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
• InChIKey: TVFORTZHGPWPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
• IUPAC Traditional name: 2-(methylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
• Synonyms: 2-(Methylthio)thiazolo[5,4-b]pyridine

Database IDs

• CAS Number: 57135-10-1
• PubChem SID: 180673711
• PubChem CID: 699840

CALCULATED PROPERTIES

• Log P: 2.5757287
• Molar Refractivity: 47.1566 cm^3
• Polarizability: 18.979607 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.575728
• LogD (pH = 7.4): 2.5757284

PROPERTIES

Product Information

• Purity: 95+%