5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione

C9H7ClN2OS2 — CID 3038250

IUPAC5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione
SMILESOc1ccc(Cl)cc1C1NC(=S)NC1=S
InChIInChI=1S/C9H7ClN2OS2/c10-4-1-2-6(13)5(3-4)7-8(14)12-9(15)11-7/h1-3,7,13H,(H2,11,12,14,15)
InChIKeyOQGQEMZNZVWHTJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.89
Rot. Bonds1

About 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione

5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione (PubChem CID 3038250) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione
PubChem CID3038250
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione
SMILESOc1ccc(Cl)cc1C1NC(=S)NC1=S
InChIInChI=1S/C9H7ClN2OS2/c10-4-1-2-6(13)5(3-4)7-8(14)12-9(15)11-7/h1-3,7,13H,(H2,11,12,14,15)
InChIKeyOQGQEMZNZVWHTJ-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione?
The IUPAC name of 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione (CID 3038250) is 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione.
What is the SMILES notation for 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione?
The canonical SMILES for 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione is Oc1ccc(Cl)cc1C1NC(=S)NC1=S.
What is the InChIKey of 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione?
The InChIKey is OQGQEMZNZVWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c10-4-1-2-6(13)5(3-4)7-8(14)12-9(15)11-7/h1-3,7,13H,(H2,11,12,14,15).
What are the key properties of 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione?
5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione has a molecular weight of 258.75 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione is sourced from PubChem (CID 3038250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).