5-phenylsulfanylimidazolidine-2,4-dione

C9H8N2O2S — CID 15162253

IUPAC5-phenylsulfanylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Sc2ccccc2)N1
InChIInChI=1S/C9H8N2O2S/c12-7-8(11-9(13)10-7)14-6-4-2-1-3-5-6/h1-5,8H,(H2,10,11,12,13)
InChIKeyRZMIYVHVXUGTJX-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.94
Rot. Bonds2

About 5-phenylsulfanylimidazolidine-2,4-dione

5-phenylsulfanylimidazolidine-2,4-dione (PubChem CID 15162253) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-phenylsulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-phenylsulfanylimidazolidine-2,4-dione
PubChem CID15162253
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-phenylsulfanylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Sc2ccccc2)N1
InChIInChI=1S/C9H8N2O2S/c12-7-8(11-9(13)10-7)14-6-4-2-1-3-5-6/h1-5,8H,(H2,10,11,12,13)
InChIKeyRZMIYVHVXUGTJX-UHFFFAOYSA-N
XLogP0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylimidazolidine-2,4-dione?
The IUPAC name of 5-phenylsulfanylimidazolidine-2,4-dione (CID 15162253) is 5-phenylsulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 5-phenylsulfanylimidazolidine-2,4-dione?
The canonical SMILES for 5-phenylsulfanylimidazolidine-2,4-dione is O=C1NC(=O)C(Sc2ccccc2)N1.
What is the InChIKey of 5-phenylsulfanylimidazolidine-2,4-dione?
The InChIKey is RZMIYVHVXUGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-7-8(11-9(13)10-7)14-6-4-2-1-3-5-6/h1-5,8H,(H2,10,11,12,13).
What are the key properties of 5-phenylsulfanylimidazolidine-2,4-dione?
5-phenylsulfanylimidazolidine-2,4-dione has a molecular weight of 208.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 15162253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).