2,5-dichloro-1,3-thiazole

• ChemBase ID: 283902
• Molecular Formular: C3HCl2NS
• Molecular Mass: 154.01774
• Monoisotopic Mass: 152.9206754
• SMILES: s1c(ncc1Cl)Cl
• Canonical SMILES: Clc1ncc(s1)Cl
• InChI: InChI=1S/C3HCl2NS/c4-2-1-6-3(5)7-2/h1H
• InChIKey: XPJACWOWEJJYRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-1,3-thiazole
• IUPAC Traditional name: 2,5-dichloro-1,3-thiazole
• Synonyms: 2,5-dichloro-1,3-thiazole

Database IDs

• MDL Number: MFCD21642077
• PubChem SID: 180669433
• PubChem CID: 15239252

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.316093
• LogD (pH = 7.4): 2.3160937
• Log P: 2.3160937
• Molar Refractivity: 30.257 cm^3
• Polarizability: 12.236943 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.979

Product Information

• Purity: 95%