5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C₁₆H₁₀ClNOS₃ — CID 139661577

About 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 139661577) has the molecular formula C₁₆H₁₀ClNOS₃ and a molecular weight of 363.92 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 139661577
• Molecular Formula: C₁₆H₁₀ClNOS₃
• Molecular Weight: 363.92 g/mol
• Exact Mass: 362.96
• IUPAC Name: 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1NC(=S)SC1=Cc1ccccc1Sc1ccccc1Cl
• InChI: InChI=1S/C16H10ClNOS3/c17-11-6-2-4-8-13(11)21-12-7-3-1-5-10(12)9-14-15(19)18-16(20)22-14/h1-9H,(H,18,19,20)
• InChIKey: UUHIPKJOVWGVIX-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.92
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', '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-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 139661577) is 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1ccccc1Sc1ccccc1Cl.

What is the InChIKey of 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is UUHIPKJOVWGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNOS3/c17-11-6-2-4-8-13(11)21-12-7-3-1-5-10(12)9-14-15(19)18-16(20)22-14/h1-9H,(H,18,19,20).

What are the key properties of 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 363.92 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 139661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139661577 — identifiers, structure, computed properties (public domain)

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