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5-Benzylthiazolidine-2，4-dione - ≥97%, high purity , CAS No.33321-31-2

COA

Grade & Purity:

≥97%

Cas Number: 33321-31-2
PubChem CID: 3157013

In stock

Item Number

B708574

Grouped product items
SKU	Size	Availability	Price
B708574-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$155.90
B708574-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$263.90
B708574-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$770.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Thiazolidines
      - Level5 Thiazolidinones
        Level6 Thiazolidinediones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Thiazolidines
Intermediate Tree Nodes	Thiazolidinones
Direct Parent	Thiazolidinediones
Alternative Parents	Benzene and substituted derivatives Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiazolidinedione - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Thiocarbamic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolidinediones. These are heterocyclic compounds containing a thiazolidine ring which bears two ketone groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-benzyl-1,3-thiazolidine-2,4-dione
INCHI	InChI=1S/C10H9NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKey	STDKZZIKAJFATG-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CC2C(=O)NC(=O)S2
Isomeric SMILES	C1=CC=C(C=C1)CC2C(=O)NC(=O)S2
PubChem CID	3157013

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.250 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	207.035 Da
Monoisotopic Mass	207.035 Da
Topological Polar Surface Area	71.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	249.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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