2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C11H11NOS2 — CID 772307

IUPAC2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCSC1=S
InChIInChI=1S/C11H11NOS2/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyOVLPCYXFKYZNNF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.09
Rot. Bonds2

About 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 772307) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID772307
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCSC1=S
InChIInChI=1S/C11H11NOS2/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyOVLPCYXFKYZNNF-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 772307) is 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is O=C(Cc1ccccc1)N1CCSC1=S.
What is the InChIKey of 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is OVLPCYXFKYZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 237.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 772307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).