Chemical Properties of 6-Azathymine (CAS 932-53-6)

InChI

InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChI Key

XZWMZFQOHTWGQE-UHFFFAOYSA-N

Formula

C4H5N3O2

SMILES

Cc1n[nH]c(=O)[nH]c1=O

Molecular Weight¹

127.10

CAS

932-53-6

Other Names

• 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl-
• 3,5-Dihydroxy-6-methyl-1,2,4-triazine
• 5-methyl-6-azauracil
• 6-Methyl-1,2,4-triazine-3,5-dione
• 6-Methyl-as-triazine-3,5(2H,4H)-dione
• 6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
• 6-methyl-1,2,4-triazine-3,5-diol
• NSC 3426
• NSC 38620
• USAF CB-28
• as-Triazine-3,5(2H,4H)-dione, 6-methyl-
• as-Triazine-3,5-diol, 6-methyl-

• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 6-Azathymine.

Sources

• Crippen Method
• Crippen Method
• Experimental and computational thermochemical studies of 6-azauracil derivatives
• McGowan Method
• NIST Webbook

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