(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

C11H10N2O2S — CID 715209

IUPAC(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChIKeyXTMVUGQFVUETDJ-RMKNXTFCSA-N
MW234.28 g/mol
LogP1.59
Rot. Bonds2

About (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 715209) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID715209
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCSc1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
InChIKeyXTMVUGQFVUETDJ-RMKNXTFCSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (CID 715209) is (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is CSc1ccc(/C=C2/NC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XTMVUGQFVUETDJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+.
What are the key properties of (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 715209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).