1-ethyl-4-sulfanylideneimidazolidin-2-one

C5H8N2OS — CID 88589268

IUPAC1-ethyl-4-sulfanylideneimidazolidin-2-one
SMILESCCN1CC(=S)NC1=O
InChIInChI=1S/C5H8N2OS/c1-2-7-3-4(9)6-5(7)8/h2-3H2,1H3,(H,6,8,9)
InChIKeySSFVUFMMBKMBIO-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.36
Rot. Bonds1

About 1-ethyl-4-sulfanylideneimidazolidin-2-one

1-ethyl-4-sulfanylideneimidazolidin-2-one (PubChem CID 88589268) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-ethyl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-sulfanylideneimidazolidin-2-one
PubChem CID88589268
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1-ethyl-4-sulfanylideneimidazolidin-2-one
SMILESCCN1CC(=S)NC1=O
InChIInChI=1S/C5H8N2OS/c1-2-7-3-4(9)6-5(7)8/h2-3H2,1H3,(H,6,8,9)
InChIKeySSFVUFMMBKMBIO-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 1-ethyl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-sulfanylideneimidazolidin-2-one (CID 88589268) is 1-ethyl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-sulfanylideneimidazolidin-2-one is CCN1CC(=S)NC1=O.
What is the InChIKey of 1-ethyl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is SSFVUFMMBKMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-7-3-4(9)6-5(7)8/h2-3H2,1H3,(H,6,8,9).
What are the key properties of 1-ethyl-4-sulfanylideneimidazolidin-2-one?
1-ethyl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 88589268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).