sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate

C10H15N2NaO3S — CID 102240036

IUPACsodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate
SMILESCCSC(C)C1(CC)C(=O)NC(=O)N=C1[O-].[Na+]
InChIInChI=1S/C10H16N2O3S.Na/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1
InChIKeyQXZOGIIXLQEEJZ-UHFFFAOYSA-M
MW266.30 g/mol
LogP-2.46
Rot. Bonds4

About sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate

sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate (PubChem CID 102240036) has the molecular formula C10H15N2NaO3S and a molecular weight of 266.30 g/mol. Its IUPAC name is sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Namesodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate
PubChem CID102240036
Molecular FormulaC10H15N2NaO3S
Molecular Weight266.30 g/mol
Exact Mass266.07
IUPAC Namesodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate
SMILESCCSC(C)C1(CC)C(=O)NC(=O)N=C1[O-].[Na+]
InChIInChI=1S/C10H16N2O3S.Na/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1
InChIKeyQXZOGIIXLQEEJZ-UHFFFAOYSA-M
XLogP-2.46
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 5-(1-ethylsulfanylethyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-2-olate
CID 23703869
sodium 5-[1-(2-methylpropylsulfanyl)ethyl]-6-oxo-5-propyl-2-sulfanylidenepyrimidin-4-olate
CID 23706615
sodium 5-butyl-6-oxo-5-(1-pentylsulfanylethyl)-2-sulfanylidenepyrimidin-4-olate
CID 23706627
sodium 5-(ethylsulfanylmethyl)-5-(3-methylbutyl)-2,6-dioxopyrimidin-4-olate
CID 102240083
sodium 5-ethyl-4,6-dioxo-5-[(2R)-pentan-2-yl]-1H-pyrimidin-2-olate
CID 23719972
CID 173425852
CID 173425852
sodium 5-(1-ethylsulfanylethyl)-5-hexyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione
CID 23716048
disodium;5-butan-2-yl-5-ethyl-6-oxo-2-sulfidopyrimidin-4-olate
CID 18365530
sodium 5-but-3-en-2-yl-6-oxo-5-pentyl-2-sulfanylidenepyrimidin-4-olate
CID 23706636
sodium 5-ethyl-1-methyl-6-oxo-5-propan-2-yl-2-sulfanylidenepyrimidin-4-olate
CID 23703800
magnesium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
CID 56842055
sodium 5-butyl-4,6-dioxo-5-propan-2-yl-1H-pyrimidin-2-olate
CID 23703922

Frequently Asked Questions

What is the IUPAC name of sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate?
The IUPAC name of sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate (CID 102240036) is sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate is CCSC(C)C1(CC)C(=O)NC(=O)N=C1[O-].[Na+].
What is the InChIKey of sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate?
The InChIKey is QXZOGIIXLQEEJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O3S.Na/c1-4-10(6(3)16-5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1.
What are the key properties of sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate?
sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate has a molecular weight of 266.30 g/mol, XLogP of -2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-ethyl-5-(1-ethylsulfanylethyl)-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 102240036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).