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5-(4-Hydroxybenzyl)-2,4-thiazolidinedione - 95%, high purity , CAS No.74772-78-4

COA

Grade & Purity:

≥95%

Cas Number: 74772-78-4
Molecular Weight: 223.25
MDL number: MFCD00754499
PubChem CID: 10198397
PubChem SID: 504765321

In stock

Item Number

H157014

Grouped product items
SKU	Size	Availability	Price
H157014-100mg	100mg	7	$69.90
H157014-250mg	250mg	4	$156.90
H157014-1g	1g	2	$561.90
H157014-5g	5g	1	$2,527.90

View related series

Halogen free heterocyclic block (1207) Heterocyclic block (497)

Basic Description

Synonyms	NSC-130740 \| DTXSID501270095 \| UNII-M8U25244KP \| 2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methyl]- \| AKOS015903570 \| 2-bromoethylcarbamic acid benzyl ester \| Q27283652 \| SCHEMBL18174924 \| M8U25244KP \| 5-(4-HYDROXYBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE \| 5-(
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-hydroxy-2-unsubstituted benzenoid - Phenol - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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)

CISD1 Tchem CDGSH iron-sulfur domain-containing protein 1 (1 Activities)

Discover Target: CISD1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	504765321
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765321
IUPAC Name	5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
INCHI	InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)
InChIKey	NKOHRVBBQISBSB-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC2C(=O)NC(=O)S2)O
Isomeric SMILES	C1=CC(=CC=C1CC2C(=O)NC(=O)S2)O
Molecular Weight	223.25
Reaxy-Rn	5431903
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5431903&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2328474	Certificate of Analysis	Jun 01, 2023	H157014
F2328479	Certificate of Analysis	Jun 01, 2023	H157014
F2328477	Certificate of Analysis	Jun 01, 2023	H157014
F2328475	Certificate of Analysis	Jun 01, 2023	H157014
F2328482	Certificate of Analysis	Jun 01, 2023	H157014
F2328476	Certificate of Analysis	Jun 01, 2023	H157014
F2328478	Certificate of Analysis	Jun 01, 2023	H157014
F2328481	Certificate of Analysis	Jun 01, 2023	H157014

Chemical and Physical Properties

Melt Point(°C)	157 °C
Molecular Weight	223.250 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.03 Da
Monoisotopic Mass	223.03 Da
Topological Polar Surface Area	91.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274.000
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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