3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

C9H6ClNO2S — CID 4135812

IUPAC3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKeyHSIPWRGYFQUTDR-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.54
Rot. Bonds1

About 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 4135812) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID4135812
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKeyHSIPWRGYFQUTDR-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (CID 4135812) is 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HSIPWRGYFQUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2.
What are the key properties of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 227.67 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4135812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).