2,7-dichloro-[1,3]thiazolo[5,4-c]pyridine

• ChemBase ID: 68305
• Molecular Formular: C6H2Cl2N2S
• Molecular Mass: 205.06448
• Monoisotopic Mass: 203.93157443
• SMILES: c1c2c(c(cn1)Cl)nc(s2)Cl
• Canonical SMILES: Clc1nc2c(s1)cncc2Cl
• InChI: InChI=1S/C6H2Cl2N2S/c7-3-1-9-2-4-5(3)10-6(8)11-4/h1-2H
• InChIKey: GIABXDLWFMADBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloro-[1,3]thiazolo[5,4-c]pyridine
• IUPAC Traditional name: 2,7-dichloro-[1,3]thiazolo[5,4-c]pyridine
• Synonyms: 2,7-Dichlorothiazolo[5,4-c]pyridine

Database IDs

• CAS Number: 884860-61-1
• MDL Number: MFCD13193435
• PubChem SID: 162034037
• PubChem CID: 56763814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4138398
• LogD (pH = 7.4): 2.4138582
• Log P: 2.4138584
• Molar Refractivity: 44.8025 cm^3
• Polarizability: 18.692448 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+%