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Sodium 5-[1-(ethylsulfanyl)ethyl]-5-hexyl-6-oxo-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolate

ChemSpider ID: 2298126
Molecular Formula: C₁₄H₂₃N₂NaO₂S₂
Average mass: 338.464386 Da
Monoisotopic mass: 338.109863 Da
Systematic name

Sodium 5-[1-(ethylsulfanyl)ethyl]-5-hexyl-6-oxo-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinolate
SMILES and InChIs

SMILES:

[Na+].O=C1NC(=S)/N=C(/[O-])C1(C(SCC)C)CCCCCC Copied

Std. InChI:

InChI=1S/C14H24N2O2S2.Na/c1-4-6-7-8-9-14(10(3)20-5-2)11(17)15-13(19)16-12(14)18;/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19);/q;+1/p-1 Copied

Std. InChIKey:

SPDYTFJFQNVAJR-UHFFFAOYSA-M Copied
Cite this record
CSID:2298126, http://www.chemspider.com/Chemical-Structure.2298126.html (accessed 10:23, Jun 20, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

5-(1-(Ethylthio)ethyl)-5-hexyl-2-thiobarbituric acid sodium salt

67051-04-1 [RN]

Barbituric acid, 5-(1-(ethylthio)ethyl)-5-hexyl-2-thio-, sodium salt

Sodium 5-(1-(ethylthio)ethyl)-5-hexyl-2-thiobarbiturate

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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