Chemical Properties of Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]- (CAS 90642-35-6)

InChI

InChI=1S/C9H11N7O2S/c1-16(15-18)9(17)10-2-3-19-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,10,17)(H,11,12,13,14)

InChI Key

KNBAVCNFOCPHPD-UHFFFAOYSA-N

Formula

C9H11N7O2S

SMILES

CN(N=O)C(=O)NCCSc1ncnc2[nH]cnc12

Molecular Weight¹

281.29

CAS

90642-35-6

• 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 Urea, 1-methyl-1-nitroso-3-[2-(9h-purine-6-ylthio)ethyl]-.

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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