1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione

C9H8N2O3S — CID 88502337

IUPAC1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione
SMILESO=C1CN(Sc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C9H8N2O3S/c12-6-2-1-3-7(4-6)15-11-5-8(13)10-9(11)14/h1-4,12H,5H2,(H,10,13,14)
InChIKeyWICGAEIICDASAV-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.95
Rot. Bonds2

About 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione

1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione (PubChem CID 88502337) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione
PubChem CID88502337
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione
SMILESO=C1CN(Sc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C9H8N2O3S/c12-6-2-1-3-7(4-6)15-11-5-8(13)10-9(11)14/h1-4,12H,5H2,(H,10,13,14)
InChIKeyWICGAEIICDASAV-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione?
The IUPAC name of 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione (CID 88502337) is 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione is O=C1CN(Sc2cccc(O)c2)C(=O)N1.
What is the InChIKey of 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione?
The InChIKey is WICGAEIICDASAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-6-2-1-3-7(4-6)15-11-5-8(13)10-9(11)14/h1-4,12H,5H2,(H,10,13,14).
What are the key properties of 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione?
1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione has a molecular weight of 224.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 88502337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).