2-[(6S)-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl]phenol

• ChemBase ID: 170694
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: S1CCN2C1=N[C@H](C2)c1c(cccc1)O
• Canonical SMILES: Oc1ccccc1[C@@H]1N=C2N(C1)CCS2
• InChI: InChI=1S/C11H12N2OS/c14-10-4-2-1-3-8(10)9-7-13-5-6-15-11(13)12-9/h1-4,9,14H,5-7H2/t9-/m1/s1
• InChIKey: UWSRSQGOOOLTTI-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6S)-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl]phenol
• IUPAC Traditional name: 2-[(6S)-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl]phenol
• Synonyms: 2-[(6S)-2,3,5,6-Tetrahydroimidazo[2,1-b]thiazol-6-yl]phenol; o-Hydroxylevamisole; 2-Hydroxy Levamisole

Database IDs

• PubChem SID: 164226604
• PubChem CID: 71749088

CALCULATED PROPERTIES

• Acid pKa: 9.122439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6659536
• LogD (pH = 7.4): 1.924297
• Log P: 2.0546615
• Molar Refractivity: 62.0593 cm^3
• Polarizability: 23.627026 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: Pale Orange Solid
• Melting Point: 211-213°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - H943725

Levamisole derivative.