5-bromo-2-ethyl-1,3-thiazole

• ChemBase ID: 309415
• Molecular Formular: C5H6BrNS
• Molecular Mass: 192.07684
• Monoisotopic Mass: 190.9404322
• SMILES: s1c(cnc1CC)Br
• Canonical SMILES: CCc1ncc(s1)Br
• InChI: InChI=1S/C5H6BrNS/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3
• InChIKey: PMLOCJDQVWVTPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethyl-1,3-thiazole
• IUPAC Traditional name: 5-bromo-2-ethyl-1,3-thiazole
• Synonyms: 5-bromo-2-ethyl-1,3-thiazole

Database IDs

• CAS Number: 1086382-44-6
• MDL Number: MFCD11223412

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3900774
• LogD (pH = 7.4): 2.390384
• Log P: 2.3903878
• Molar Refractivity: 37.1167 cm^3
• Polarizability: 14.717441 Å^3
• Polar Surface Area: 12.89 Å^2