5-(bromomethyl)-4-methyl-1,3-thiazole

• ChemBase ID: 310157
• Molecular Formular: C5H6BrNS
• Molecular Mass: 192.07684
• Monoisotopic Mass: 190.9404322
• SMILES: c1(c(ncs1)C)CBr
• Canonical SMILES: Cc1ncsc1CBr
• InChI: InChI=1S/C5H6BrNS/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3
• InChIKey: RJIQVAWENHEGNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-4-methyl-1,3-thiazole
• IUPAC Traditional name: 5-(bromomethyl)-4-methyl-1,3-thiazole
• Synonyms: 5-(bromomethyl)-4-methyl-1,3-thiazole

Database IDs

• CAS Number: 181424-10-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6683221
• LogD (pH = 7.4): 1.6685822
• Log P: 1.6685855
• Molar Refractivity: 38.4924 cm^3
• Polarizability: 14.589827 Å^3
• Polar Surface Area: 12.89 Å^2