4-(furan-2-yl)-2-methyl-1,3-thiazole

• ChemBase ID: 299948
• Molecular Formular: C8H7NOS
• Molecular Mass: 165.21228
• Monoisotopic Mass: 165.02483485
• SMILES: Cc1nc(cs1)c1ccco1
• Canonical SMILES: Cc1scc(n1)c1ccco1
• InChI: InChI=1S/C8H7NOS/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3
• InChIKey: AGIHEIJGDJIILG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-yl)-2-methyl-1,3-thiazole
• IUPAC Traditional name: 4-(furan-2-yl)-2-methyl-1,3-thiazole
• Synonyms: 4-(2-Furyl)-2-methylthiazole

Database IDs

• MDL Number: MFCD22682939
• PubChem SID: 180685479
• PubChem CID: 15704191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8483179
• LogD (pH = 7.4): 1.8484243
• Log P: 1.8484256
• Molar Refractivity: 42.8622 cm^3
• Polarizability: 17.688131 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%