(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

C12H12N2O2S — CID 44590756

IUPAC(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCSc1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-9-5-3-8(4-6-9)7-10-11(15)14-12(16)13-10/h3-7H,2H2,1H3,(H2,13,14,15,16)/b10-7-
InChIKeyUWMDBDYLNJITCD-YFHOEESVSA-N
MW248.31 g/mol
LogP1.98
Rot. Bonds3

About (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 44590756) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID44590756
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCSc1ccc(/C=C2\NC(=O)NC2=O)cc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-9-5-3-8(4-6-9)7-10-11(15)14-12(16)13-10/h3-7H,2H2,1H3,(H2,13,14,15,16)/b10-7-
InChIKeyUWMDBDYLNJITCD-YFHOEESVSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.98
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 (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione (CID 44590756) is (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is CCSc1ccc(/C=C2\NC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UWMDBDYLNJITCD-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-17-9-5-3-8(4-6-9)7-10-11(15)14-12(16)13-10/h3-7H,2H2,1H3,(H2,13,14,15,16)/b10-7-.
What are the key properties of (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 248.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylsulfanylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 44590756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).