3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one

C11H13NOS2 — CID 141144025

IUPAC3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(S)N1CCc1ccccc1
InChIInChI=1S/C11H13NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2
InChIKeyAOVJDIDARZDRJC-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.02
Rot. Bonds3

About 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one

3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one (PubChem CID 141144025) has the molecular formula C11H13NOS2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one
PubChem CID141144025
Molecular FormulaC11H13NOS2
Molecular Weight239.37 g/mol
Exact Mass239.04
IUPAC Name3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(S)N1CCc1ccccc1
InChIInChI=1S/C11H13NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2
InChIKeyAOVJDIDARZDRJC-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one (CID 141144025) is 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one is O=C1CSC(S)N1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The InChIKey is AOVJDIDARZDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c13-10-8-15-11(14)12(10)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2.
What are the key properties of 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one?
3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one has a molecular weight of 239.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 141144025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).