6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one

C6H8N2OS — CID 2730572

IUPAC6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N2OS/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyGEDSLQYKIOAKQA-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.99
Rot. Bonds1

About 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one

6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 2730572) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID2730572
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C6H8N2OS/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyGEDSLQYKIOAKQA-UHFFFAOYSA-N
XLogP0.99
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 2730572) is 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one is CCc1cc(=O)[nH]c(=S)[nH]1.
What is the InChIKey of 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is GEDSLQYKIOAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 156.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 2730572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).