5-(chloromethyl)-1,3-thiazole hydrochloride

• ChemBase ID: 290210
• Molecular Formular: C4H5Cl2NS
• Molecular Mass: 170.0602
• Monoisotopic Mass: 168.95197553
• SMILES: Cl.ClCc1cncs1
• Canonical SMILES: ClCc1cncs1.Cl
• InChI: InChI=1S/C4H4ClNS.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2;1H
• InChIKey: ZIESYFUVRJDNNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-1,3-thiazole hydrochloride
• IUPAC Traditional name: 5-(chloromethyl)-1,3-thiazole hydrochloride
• Synonyms: 5-(Chloromethyl)thiazole hydrochloride

Database IDs

• CAS Number: 131052-44-3
• PubChem SID: 180675741
• PubChem CID: 22319457

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3516487
• LogD (pH = 7.4): 1.3517193
• Log P: 1.3517201
• Molar Refractivity: 30.9174 cm^3
• Polarizability: 11.848812 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%