6-(2H5)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride

• ChemBase ID: 157421
• Molecular Formular: C11H13ClN2S
• Molecular Mass: 240.75232
• Monoisotopic Mass: 240.04879711
• SMILES: c1ccc(cc1)C1CN2CCSC2=N1.Cl
• Canonical SMILES: C1CN2C(=NC(C2)c2ccccc2)S1.Cl
• InChI: InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H
• InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(^2H₅)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride
• IUPAC Traditional name: 6-(^2H₅)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride
• Synonyms: (±)-2,3,5,6-Tetrahydro-6-phenyl-d5-imidazo[2,1-b]thiazole hydrochloride; Tetramisole-d5 hydrochloride; (±)-2,3,5,6-四氢-6-苯基-d5-咪唑并[2,1-b]噻唑 盐酸盐; 四咪唑-d5 盐酸盐

Database IDs

• CAS Number: 1173021-85-6
• MDL Number: MFCD16661171
• PubChem SID: 162251558
• PubChem CID: 71312483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.91581506
• LogD (pH = 7.4): 2.220205
• Log P: 2.358227
• Molar Refractivity: 60.0784 cm^3
• Polarizability: 23.0503 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Grade: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C11D5H7N2S · HCl

DETAILS

Sigma Aldrich - 32844

Legal Information
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