6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

• ChemBase ID: 86649
• Molecular Formular: C5H2Cl2N2O2S2
• Molecular Mass: 257.11758
• Monoisotopic Mass: 255.89347467
• SMILES: n12c(c(nc1scc2)Cl)S(=O)(=O)Cl
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)Cl)ccs2
• InChI: InChI=1S/C5H2Cl2N2O2S2/c6-3-4(13(7,10)11)9-1-2-12-5(9)8-3/h1-2H
• InChIKey: APRATEMYDZDYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
• IUPAC Traditional name: 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
• Synonyms: 6-Chloroimidazo[2,1-b]thiazole-5-sulfonyl chloride; 6-Chloroimidazo[2,1-b][1,3]thiazole-5-sulphonyl chloride; 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride

Database IDs

• CAS Number: 150020-64-7
• MDL Number: MFCD00205139
• PubChem SID: 162073765
• PubChem CID: 2799717

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6530665
• LogD (pH = 7.4): 1.6530666
• Log P: 1.6530666
• Molar Refractivity: 62.826 cm^3
• Polarizability: 20.368994 Å^3
• Polar Surface Area: 51.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-140°C
• Hydrophobicity(logP): -0.274

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 97%