2-chloro-1,3-thiazole-5-carbonyl chloride

• ChemBase ID: 101447
• Molecular Formular: C4HCl2NOS
• Molecular Mass: 182.02784
• Monoisotopic Mass: 180.91559002
• SMILES: c1(sc(nc1)Cl)C(=O)Cl
• Canonical SMILES: Clc1ncc(s1)C(=O)Cl
• InChI: InChI=1S/C4HCl2NOS/c5-3(8)2-1-7-4(6)9-2/h1H
• InChIKey: GZSJPOBGZMUSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,3-thiazole-5-carbonyl chloride
• IUPAC Traditional name: 2-chloro-1,3-thiazole-5-carbonyl chloride
• Synonyms: 2-chloro-1,3-thiazole-5-carbonyl chloride

Database IDs

• CAS Number: 148637-74-5
• MDL Number: MFCD09879938
• PubChem SID: 162087100
• PubChem CID: 24229701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8694048
• LogD (pH = 7.4): 1.8694049
• Log P: 1.8694049
• Molar Refractivity: 37.1911 cm^3
• Polarizability: 14.158707 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%