4-(5-bromo-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 804175
• Molecular Formular: C7H9BrN2OS
• Molecular Mass: 249.12816
• Monoisotopic Mass: 247.96189592
• SMILES: C1COCCN1c1sc(cn1)Br
• Canonical SMILES: Brc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C7H9BrN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
• InChIKey: UJOKEKHNLUXDEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromo-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromo-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(5-BROMOTHIAZOL-2-YL)MORPHOLINE

Database IDs

• CAS Number: 933728-73-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1404507
• LogD (pH = 7.4): 2.140579
• Log P: 2.1405807
• Molar Refractivity: 51.0255 cm^3
• Polarizability: 19.648788 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%