1-ethyl-3-sulfanylimidazolidine-2,4-dione

C5H8N2O2S — CID 142020471

IUPAC1-ethyl-3-sulfanylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(S)C1=O
InChIInChI=1S/C5H8N2O2S/c1-2-6-3-4(8)7(10)5(6)9/h10H,2-3H2,1H3
InChIKeyZIZYXRAGRSIJHU-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.12
Rot. Bonds1

About 1-ethyl-3-sulfanylimidazolidine-2,4-dione

1-ethyl-3-sulfanylimidazolidine-2,4-dione (PubChem CID 142020471) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-ethyl-3-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-sulfanylimidazolidine-2,4-dione
PubChem CID142020471
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-ethyl-3-sulfanylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(S)C1=O
InChIInChI=1S/C5H8N2O2S/c1-2-6-3-4(8)7(10)5(6)9/h10H,2-3H2,1H3
InChIKeyZIZYXRAGRSIJHU-UHFFFAOYSA-N
XLogP0.12
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-sulfanylimidazolidine-2,4-dione (CID 142020471) is 1-ethyl-3-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-sulfanylimidazolidine-2,4-dione is CCN1CC(=O)N(S)C1=O.
What is the InChIKey of 1-ethyl-3-sulfanylimidazolidine-2,4-dione?
The InChIKey is ZIZYXRAGRSIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-2-6-3-4(8)7(10)5(6)9/h10H,2-3H2,1H3.
What are the key properties of 1-ethyl-3-sulfanylimidazolidine-2,4-dione?
1-ethyl-3-sulfanylimidazolidine-2,4-dione has a molecular weight of 160.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 142020471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).