5-(bromomethyl)-2-methyl-1,3-thiazole

• ChemBase ID: 245444
• Molecular Formular: C5H6BrNS
• Molecular Mass: 192.07684
• Monoisotopic Mass: 190.9404322
• SMILES: n1c(sc(c1)CBr)C
• Canonical SMILES: Cc1ncc(s1)CBr
• InChI: InChI=1S/C5H6BrNS/c1-4-7-3-5(2-6)8-4/h3H,2H2,1H3
• InChIKey: WKOAATBPJLXWLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2-methyl-1,3-thiazole
• IUPAC Traditional name: 5-(bromomethyl)-2-methyl-1,3-thiazole
• Synonyms: 5-(bromomethyl)-2-methyl-1,3-thiazole

Database IDs

• MDL Number: MFCD04035605
• PubChem SID: 164301354
• PubChem CID: 55250786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6579893
• LogD (pH = 7.4): 1.6602511
• Log P: 1.6602801
• Molar Refractivity: 38.3416 cm^3
• Polarizability: 14.591916 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.767

Product Information

• Purity: 95%