3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione

C11H12N2O3S — CID 104590336

IUPAC3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1cccc(O)c1
InChIInChI=1S/C11H12N2O3S/c14-8-2-1-3-9(6-8)17-5-4-13-10(15)7-12-11(13)16/h1-3,6,14H,4-5,7H2,(H,12,16)
InChIKeyMDGDNPRMMUPBEI-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.04
Rot. Bonds4

About 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 104590336) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID104590336
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1cccc(O)c1
InChIInChI=1S/C11H12N2O3S/c14-8-2-1-3-9(6-8)17-5-4-13-10(15)7-12-11(13)16/h1-3,6,14H,4-5,7H2,(H,12,16)
InChIKeyMDGDNPRMMUPBEI-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 104590336) is 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSc1cccc(O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is MDGDNPRMMUPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-8-2-1-3-9(6-8)17-5-4-13-10(15)7-12-11(13)16/h1-3,6,14H,4-5,7H2,(H,12,16).
What are the key properties of 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 252.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 104590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).