2-chloro-[1,3]thiazolo[4,5-c]pyridine

• ChemBase ID: 68306
• Molecular Formular: C6H3ClN2S
• Molecular Mass: 170.61942
• Monoisotopic Mass: 169.97054679
• SMILES: c1c2c(ccn1)sc(n2)Cl
• Canonical SMILES: Clc1nc2c(s1)ccnc2
• InChI: InChI=1S/C6H3ClN2S/c7-6-9-4-3-8-2-1-5(4)10-6/h1-3H
• InChIKey: BFMGCAIJTMHHEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-[1,3]thiazolo[4,5-c]pyridine
• IUPAC Traditional name: 2-chloro-[1,3]thiazolo[4,5-c]pyridine
• Synonyms: 2-Chlorothiazolo[4,5-c]pyridine

Database IDs

• CAS Number: 884860-63-3
• MDL Number: MFCD13193436
• PubChem SID: 162034038
• PubChem CID: 56763816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8098121
• LogD (pH = 7.4): 1.8098136
• Log P: 1.8098136
• Molar Refractivity: 39.9977 cm^3
• Polarizability: 16.723627 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%