3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C11H11NOS2 — CID 4098918

IUPAC3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)CSC1=S
InChIInChI=1S/C11H11NOS2/c1-2-8-5-3-4-6-9(8)12-10(13)7-15-11(12)14/h3-6H,2,7H2,1H3
InChIKeyQWVSJQOXSIUGQK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds2

About 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4098918) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4098918
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCc1ccccc1N1C(=O)CSC1=S
InChIInChI=1S/C11H11NOS2/c1-2-8-5-3-4-6-9(8)12-10(13)7-15-11(12)14/h3-6H,2,7H2,1H3
InChIKeyQWVSJQOXSIUGQK-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 4098918) is 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCc1ccccc1N1C(=O)CSC1=S.
What is the InChIKey of 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QWVSJQOXSIUGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-2-8-5-3-4-6-9(8)12-10(13)7-15-11(12)14/h3-6H,2,7H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).