5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C10H9FN2OS — CID 82997208

IUPAC5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C2NC(=S)NC2=O)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVQKOPJABAPJNIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.18
Rot. Bonds1

About 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997208) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID82997208
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C2NC(=S)NC2=O)ccc1F
InChIInChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15)
InChIKeyVQKOPJABAPJNIH-UHFFFAOYSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 82997208) is 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1cc(C2NC(=S)NC2=O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VQKOPJABAPJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-5-4-6(2-3-7(5)11)8-9(14)13-10(15)12-8/h2-4,8H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).