(5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

Formula:C11H7NO2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
MolecularFormula	C11H7NO2S2
Smiles	C#CCN(C(/C(/S1)=C\c2cccs2)=O)C1=O
InChI	InChI=1S/C11H7NO2S2/c1-2-5-12-10(13)9(16-11(12)14)7-8-4-3-6-15-8/h1,3-4,6-7H,5H2
InChIK	JEWXANCAEIBYED-UHFFFAOYSA-N
TotalMolweight	249.314
Molweight	249.314
MonoisotopicMass	248.991819
CLogP	1.6361
CLogS	-3.421
H Acceptors	3
TotalSurfaceArea	181.27
Relative PSA	0.37226
PolarSurfaceArea	90.92
Druglikeness	4.9328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

Request More Details | (5E)-3-prop-2-ynyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments