mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one

C7H8HgN2OS — CID 54606837

IUPACmercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESC=CCc1c[nH]c(=S)[nH]c1=O.[Hg]
InChIInChI=1S/C7H8N2OS.Hg/c1-2-3-5-4-8-7(11)9-6(5)10;/h2,4H,1,3H2,(H2,8,9,10,11);
InChIKeyKXALJJIVUCXIDM-UHFFFAOYSA-N
MW368.81 g/mol
LogP1.16
Rot. Bonds2

About mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one

mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 54606837) has the molecular formula C7H8HgN2OS and a molecular weight of 368.81 g/mol. Its IUPAC name is mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Namemercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID54606837
Molecular FormulaC7H8HgN2OS
Molecular Weight368.81 g/mol
Exact Mass370.01
IUPAC Namemercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESC=CCc1c[nH]c(=S)[nH]c1=O.[Hg]
InChIInChI=1S/C7H8N2OS.Hg/c1-2-3-5-4-8-7(11)9-6(5)10;/h2,4H,1,3H2,(H2,8,9,10,11);
InChIKeyKXALJJIVUCXIDM-UHFFFAOYSA-N
XLogP1.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 54606837) is mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one is C=CCc1c[nH]c(=S)[nH]c1=O.[Hg].
What is the InChIKey of mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is KXALJJIVUCXIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS.Hg/c1-2-3-5-4-8-7(11)9-6(5)10;/h2,4H,1,3H2,(H2,8,9,10,11);.
What are the key properties of mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one?
mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 368.81 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 54606837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).