5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one

C5H8N2O2S — CID 5372652

IUPAC5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(O)C1NC(=S)NC1=O
InChIInChI=1S/C5H8N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h2-3,8H,1H3,(H2,6,7,9,10)
InChIKeyPKISYGIGJXXQEG-UHFFFAOYSA-N
MW160.20 g/mol
LogP-1.26
Rot. Bonds1

About 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one

5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 5372652) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID5372652
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(O)C1NC(=S)NC1=O
InChIInChI=1S/C5H8N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h2-3,8H,1H3,(H2,6,7,9,10)
InChIKeyPKISYGIGJXXQEG-UHFFFAOYSA-N
XLogP-1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one (CID 5372652) is 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one is CC(O)C1NC(=S)NC1=O.
What is the InChIKey of 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PKISYGIGJXXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-2(8)3-4(9)7-5(10)6-3/h2-3,8H,1H3,(H2,6,7,9,10).
What are the key properties of 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one?
5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 160.20 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5372652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).