Chemical Properties of Purine, 6-(o-chlorobenzyl thio)- (CAS 5069-68-1)

InChI

InChI=1S/C12H9ClN4S/c13-9-4-2-1-3-8(9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)

InChI Key

ZITSATWAZDKOBF-UHFFFAOYSA-N

Formula

C12H9ClN4S

SMILES

Clc1ccccc1CSc1ncnc2nc[nH]c12

Molecular Weight¹

276.75

CAS

5069-68-1

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to Purine, 6-(o-chlorobenzyl thio)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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