5-bromo-2-tert-butyl-1,3-thiazole

• ChemBase ID: 804181
• Molecular Formular: C7H10BrNS
• Molecular Mass: 220.13
• Monoisotopic Mass: 218.97173233
• SMILES: s1c(ncc1Br)C(C)(C)C
• Canonical SMILES: CC(c1ncc(s1)Br)(C)C
• InChI: InChI=1S/C7H10BrNS/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3
• InChIKey: ZODTWXIHGGSFSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-tert-butyl-1,3-thiazole
• IUPAC Traditional name: 5-bromo-2-tert-butyl-1,3-thiazole
• Synonyms: 2-(TERT-BUTYL)-5-BROMOTHIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.489199
• LogD (pH = 7.4): 3.489386
• Log P: 3.4893885
• Molar Refractivity: 46.1922 cm^3
• Polarizability: 18.313402 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%