1,3-bis(2-sulfanylethyl)imidazolidin-2-one

C7H14N2OS2 — CID 22666831

IUPAC1,3-bis(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1N(CCS)CCN1CCS
InChIInChI=1S/C7H14N2OS2/c10-7-8(3-5-11)1-2-9(7)4-6-12/h11-12H,1-6H2
InChIKeyKGYSXSDDWNSZGX-UHFFFAOYSA-N
MW206.34 g/mol
LogP0.58
Rot. Bonds4

About 1,3-bis(2-sulfanylethyl)imidazolidin-2-one

1,3-bis(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 22666831) has the molecular formula C7H14N2OS2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 1,3-bis(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-sulfanylethyl)imidazolidin-2-one
PubChem CID22666831
Molecular FormulaC7H14N2OS2
Molecular Weight206.34 g/mol
Exact Mass206.05
IUPAC Name1,3-bis(2-sulfanylethyl)imidazolidin-2-one
SMILESO=C1N(CCS)CCN1CCS
InChIInChI=1S/C7H14N2OS2/c10-7-8(3-5-11)1-2-9(7)4-6-12/h11-12H,1-6H2
InChIKeyKGYSXSDDWNSZGX-UHFFFAOYSA-N
XLogP0.58
TPSA23.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(2-sulfanylethyl)imidazolidin-2-one (CID 22666831) is 1,3-bis(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-sulfanylethyl)imidazolidin-2-one is O=C1N(CCS)CCN1CCS.
What is the InChIKey of 1,3-bis(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is KGYSXSDDWNSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS2/c10-7-8(3-5-11)1-2-9(7)4-6-12/h11-12H,1-6H2.
What are the key properties of 1,3-bis(2-sulfanylethyl)imidazolidin-2-one?
1,3-bis(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 206.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 22666831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).