4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole

• ChemBase ID: 243865
• Molecular Formular: C6H6ClNO2S
• Molecular Mass: 191.63534
• Monoisotopic Mass: 190.98077712
• SMILES: n1c(scc1Cl)C1OCCO1
• Canonical SMILES: Clc1csc(n1)C1OCCO1
• InChI: InChI=1S/C6H6ClNO2S/c7-4-3-11-5(8-4)6-9-1-2-10-6/h3,6H,1-2H2
• InChIKey: ZOYSKPSGMACJQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
• Synonyms: 4-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole

Database IDs

• MDL Number: MFCD22628393
• PubChem SID: 164299775
• PubChem CID: 71757362

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5880655
• LogD (pH = 7.4): 1.5880655
• Log P: 1.5880655
• Molar Refractivity: 42.0072 cm^3
• Polarizability: 16.421616 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.566

Product Information

• Purity: 95%