5,5-diphenylimidazolidine-2,4-dithione

C15H12N2S2 — CID 3032419

IUPAC5,5-diphenylimidazolidine-2,4-dithione
SMILESS=C1NC(=S)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C15H12N2S2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKeyIPDQDGCZABYZKF-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.74
Rot. Bonds2

About 5,5-diphenylimidazolidine-2,4-dithione

5,5-diphenylimidazolidine-2,4-dithione (PubChem CID 3032419) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5,5-diphenylimidazolidine-2,4-dithione.

Molecular Properties

Compound Name5,5-diphenylimidazolidine-2,4-dithione
PubChem CID3032419
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name5,5-diphenylimidazolidine-2,4-dithione
SMILESS=C1NC(=S)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C15H12N2S2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKeyIPDQDGCZABYZKF-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.74
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 5,5-diphenylimidazolidine-2,4-dithione?
The IUPAC name of 5,5-diphenylimidazolidine-2,4-dithione (CID 3032419) is 5,5-diphenylimidazolidine-2,4-dithione.
What is the SMILES notation for 5,5-diphenylimidazolidine-2,4-dithione?
The canonical SMILES for 5,5-diphenylimidazolidine-2,4-dithione is S=C1NC(=S)C(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 5,5-diphenylimidazolidine-2,4-dithione?
The InChIKey is IPDQDGCZABYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19).
What are the key properties of 5,5-diphenylimidazolidine-2,4-dithione?
5,5-diphenylimidazolidine-2,4-dithione has a molecular weight of 284.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenylimidazolidine-2,4-dithione is sourced from PubChem (CID 3032419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).