Basic Description

Synonyms	MFCD01830380 \| 2,2'-[propane-2,2-diylbis(thio)]diaceticacid \| 2-[2-(carboxymethylsulfanyl)propan-2-ylsulfanyl]acetic acid \| D70054 \| DTXSID701220422 \| SCHEMBL8725908 \| 2,2'-(propane-2,2-diylbis(thio))diacetic acid \| 2,2'-[(1-Methylethylidene)bis(thio)]bis
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Organosulfur compounds
  - Class Thioacetals
    - Subclass Dithioacetals

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioacetals
Subclass	Dithioacetals
Intermediate Tree Nodes	Not available
Direct Parent	Dithioketals
Alternative Parents	Fatty acids and conjugates Dicarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dithioketal - Fatty acid - Dicarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dithioketals. These are compounds containing a dithioketal functional group with the general structure R2C(SR')2 with R, R' = organyl.
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

Names and Identifiers

IUPAC Name	2-[2-(carboxymethylsulfanyl)propan-2-ylsulfanyl]acetic acid
INCHI	InChI=1S/C7H12O4S2/c1-7(2,12-3-5(8)9)13-4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey	CAYIJDHBFNCNOL-UHFFFAOYSA-N
Smiles	CC(C)(SCC(=O)O)SCC(=O)O
Isomeric SMILES	CC(C)(SCC(=O)O)SCC(=O)O
PubChem CID	12317723
Molecular Weight	224.30

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2521592	Certificate of Analysis	Jan 22, 2025	P589099
B2521593	Certificate of Analysis	Jan 22, 2025	P589099
I2321729	Certificate of Analysis	Sep 06, 2023	P589099
I2321678	Certificate of Analysis	Sep 06, 2023	P589099
I2321631	Certificate of Analysis	Sep 06, 2023	P589099

Chemical and Physical Properties

Molecular Weight	224.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	224.018 Da
Monoisotopic Mass	224.018 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Penghao Zhen, Qiaochu Jiang, Fuchao Yu, Xuan Xu, Qin Wei, Xiaoyang Liu, Xianbao Sun, Gaolin Liang, Jiayi Tong. (2025) ROS-differentiated release of Apelin-13 from hydrogel comprehensively treats myocardial ischemia-reperfusion injury. JOURNAL OF CONTROLLED RELEASE, 379 (609).

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SKU	Size	Availability	Price
P589099-100mg	100mg	3	$99.90
P589099-250mg	250mg	2	$179.90
P589099-1g	1g	2	$489.90

2,2'-[PRopane-2,2-diylbis(thio)]diacetic acid - 95%, high purity , CAS No.4265-58-1