5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C24H17Cl2NO3S2 — CID 3442600

About 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3442600) has the molecular formula C24H17Cl2NO3S2 and a molecular weight of 502.44 g/mol. Its IUPAC name is 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 3442600
• Molecular Formula: C24H17Cl2NO3S2
• Molecular Weight: 502.44 g/mol
• Exact Mass: 501.00
• IUPAC Name: 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1C(=Cc2cc(Cl)ccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccccc1
• InChI: InChI=1S/C24H17Cl2NO3S2/c25-17-10-11-20(29-12-13-30-21-9-5-4-8-19(21)26)16(14-17)15-22-23(28)27(24(31)32-22)18-6-2-1-3-7-18/h1-11,14-15H,12-13H2
• InChIKey: RXVWYXGPPGOSAD-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 38.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.44
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3442600) is 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2cc(Cl)ccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccccc1.

What is the InChIKey of 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is RXVWYXGPPGOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO3S2/c25-17-10-11-20(29-12-13-30-21-9-5-4-8-19(21)26)16(14-17)15-22-23(28)27(24(31)32-22)18-6-2-1-3-7-18/h1-11,14-15H,12-13H2.

What are the key properties of 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 502.44 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-2-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3442600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).