5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

C11H7Cl2NOS2 — CID 57029068

IUPAC5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(=C1SC(=O)NC1=S)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2NOS2/c1-5(9-10(16)14-11(15)17-9)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,14,15,16)
InChIKeyHHJXZPWUZIHZGB-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.51
Rot. Bonds1

About 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 57029068) has the molecular formula C11H7Cl2NOS2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID57029068
Molecular FormulaC11H7Cl2NOS2
Molecular Weight304.22 g/mol
Exact Mass302.93
IUPAC Name5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCC(=C1SC(=O)NC1=S)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2NOS2/c1-5(9-10(16)14-11(15)17-9)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,14,15,16)
InChIKeyHHJXZPWUZIHZGB-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-Dichlorobenzylidene)thiazolidine-2,4-dione
CID 233069
5-(3,4-Dichlorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206261
(5E)-5-(3,4-dichlorobenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
CID 5750776
(5Z)-5-[(3,4-dichlorophenyl)methylene]thiazolidine-2,4-dione
CID 1206262
5-[(3,4-Dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2796950
5-[(2-Chlorophenyl)methylene]-4-thioxo-1,3-thiazolidin-2-one
CID 1385866
5-[(4-Chlorophenyl)methylene]-4-thioxo-1,3-thiazolidin-2-one
CID 6199577
5-[(3-Chlorophenyl)methylene]-4-thioxo-1,3-thiazolidin-2-one
CID 6202464
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 42630845
(5Z)-4-sulfanylidene-5-[(2,3,5-trichlorophenyl)methylidene]-1,3-thiazolidin-2-one
CID 42630846
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 42630958
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 42630959

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 57029068) is 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is CC(=C1SC(=O)NC1=S)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is HHJXZPWUZIHZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS2/c1-5(9-10(16)14-11(15)17-9)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,14,15,16).
What are the key properties of 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 304.22 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dichlorophenyl)ethylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 57029068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).