2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver

C5H4AgN2O3S — CID 162262036

IUPAC2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver
SMILESO=C(S)c1c[nH]c(=O)[nH]c1=O.[Ag]
InChIInChI=1S/C5H4N2O3S.Ag/c8-3-2(4(9)11)1-6-5(10)7-3;/h1H,(H,9,11)(H2,6,7,8,10);
InChIKeyZZJOUCJPGRPTID-UHFFFAOYSA-N
MW280.03 g/mol
LogP-0.87
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver

2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver (PubChem CID 162262036) has the molecular formula C5H4AgN2O3S and a molecular weight of 280.03 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver
PubChem CID162262036
Molecular FormulaC5H4AgN2O3S
Molecular Weight280.03 g/mol
Exact Mass278.90
IUPAC Name2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver
SMILESO=C(S)c1c[nH]c(=O)[nH]c1=O.[Ag]
InChIInChI=1S/C5H4N2O3S.Ag/c8-3-2(4(9)11)1-6-5(10)7-3;/h1H,(H,9,11)(H2,6,7,8,10);
InChIKeyZZJOUCJPGRPTID-UHFFFAOYSA-N
XLogP-0.87
TPSA82.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.03
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
CID 135171307
lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
CID 139189490
5-(2,2-dibromoacetyl)-1H-pyrimidine-2,4-dione
CID 102461642
5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
CID 45080865
hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
5-(1-azidoethenyl)-1H-pyrimidine-2,4-dione
CID 136610615
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
CID 175729684
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43594238
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
CID 23216229

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver (CID 162262036) is 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver is O=C(S)c1c[nH]c(=O)[nH]c1=O.[Ag].
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver?
The InChIKey is ZZJOUCJPGRPTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3S.Ag/c8-3-2(4(9)11)1-6-5(10)7-3;/h1H,(H,9,11)(H2,6,7,8,10);.
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver?
2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver has a molecular weight of 280.03 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver is sourced from PubChem (CID 162262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).