6-chloroimidazo[2,1-b][1,3]thiazole

• ChemBase ID: 41583
• Molecular Formular: C5H3ClN2S
• Molecular Mass: 158.60872
• Monoisotopic Mass: 157.97054679
• SMILES: n1c2n(cc1Cl)ccs2
• Canonical SMILES: Clc1cn2c(n1)scc2
• InChI: InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H
• InChIKey: WOZMDYAJHVHPMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 6-chloroimidazo[2,1-b][1,3]thiazole
• Synonyms: 6-Chloroimidazo[2,1-b]thiazole; 6-Chloroimidazo[2,1-b]thiazole; 6-Chloroimidazo[2,1-b][1,3]thiazole; 6-氯咪唑并[2,1-±]噻唑

Database IDs

• CAS Number: 23576-81-0
• MDL Number: MFCD00173802
• PubChem SID: 162046346
• PubChem CID: 721582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6173351
• LogD (pH = 7.4): 1.6174709
• Log P: 1.6174726
• Molar Refractivity: 49.3785 cm^3
• Polarizability: 14.014293 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 84 °C; 83-84°C; 85-87°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 97%