5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione

C10H9ClN2O2S — CID 13312620

IUPAC5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCSc1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O2S/c1-16-7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVPFAZTYASVUBNK-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.94
Rot. Bonds2

About 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione

5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione (PubChem CID 13312620) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
PubChem CID13312620
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
SMILESCSc1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C10H9ClN2O2S/c1-16-7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVPFAZTYASVUBNK-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-Chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
CID 13312629
5-(5-Chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312636
4-Chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
CID 13312649
6-Chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572734
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfinyl]phenyl]imidazolidine-2,4-dione
CID 13312634
5-(5-Chloro-2-ethylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312637
5-(5-Chloro-2-propylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312638
5-(5-Chloro-2-propan-2-ylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312639
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312643
5-[5-Chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312644
5-(3,5-Dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312645
5-(5-Chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312646

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione (CID 13312620) is 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione is CSc1ccc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione?
The InChIKey is VPFAZTYASVUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-16-7-3-2-5(11)4-6(7)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione?
5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione has a molecular weight of 256.71 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).