4-(2-methyl-1,3-thiazol-4-yl)pyridine

• ChemBase ID: 298019
• Molecular Formular: C9H8N2S
• Molecular Mass: 176.23822
• Monoisotopic Mass: 176.04081927
• SMILES: Cc1nc(cs1)c1ccncc1
• Canonical SMILES: Cc1scc(n1)c1ccncc1
• InChI: InChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-2-4-10-5-3-8/h2-6H,1H3
• InChIKey: SZDNUULQXPIYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methyl-1,3-thiazol-4-yl)pyridine
• IUPAC Traditional name: 4-(2-methyl-1,3-thiazol-4-yl)pyridine
• Synonyms: 2-Methyl-4-(4-pyridyl)thiazole; 2-甲基-4-(4-吡啶基)噻唑

Database IDs

• MDL Number: MFCD16658845
• PubChem SID: 180683550
• PubChem CID: 17896320

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.5703582
• Log P: 1.5705066
• Molar Refractivity: 48.3144 cm^3
• Polarizability: 19.918736 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): 1.5589027

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%