Ethylene Glycol Bis(3-mercaptopropionate) (Purified) - ≥98.0%(T) , CAS No.22504-50-3

CAS: 22504-50-3 Cat. No.: E404431 Peso molecular: 238.32 Número EC: 245-044-3

GRADE & PURITY ≥98%(T)

Synonyms

ethane-1,2-diylbis(3-mercaptopropanoate) | MFCD00053520 | Propanoic acid, 3-mercapto-, 1,2-ethanediyl ester | 1,2-Ethanediyl 3'-mercaptopropionate | UNII-4F7C53QM7T | 2-((3-SULFANYLPROPANOYL)OXY)ETHYL 3-SULFANYLPROPANOATE | Ethylene Glycol Bis(3-mercaptop

Storage

Argon charged,Room temperature

Specifications

Sinónimos

ethane-1, 2-diylbis(3-mercaptopropanoate) | MFCD00053520 | Propanoic acid, 3-mercapto-, 1, 2-ethanediyl ester | 1, 2-Ethanediyl 3'-mercaptopropionate | UNII-4F7C53QM7T | 2-((3-SULFANYLPROPANOYL)OXY)ETHYL 3-SULFANYLPROPANOATE | Ethylene Glycol Bis(3-mercaptop

Especificaciones y pureza

≥98.0%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C(CS)C(=O)OCCOC(=O)CCS
• IUPAC Name: 2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate
• InChIKey: HAQZWTGSNCDKTK-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2
• Isómeros SMILES: C(CS)C(=O)OCCOC(=O)CCS
• Peso molecular: 238.32
• Reaxy-Rn: 1872739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Moisture Sensitive
• Índice de refracción: 1.51
• Punto de inflamación (°C): 255 °C
• Peso molecular: 238.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 238.033 Da
• Monoisotopic Mass: 238.033 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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

Referencias

1. Ziyu Liu, Xiaoli Wang, Xingyue Zhu, Yazhou Tian, Jue Cheng, Junying Zhang.  (2022)  Phase Change Energy Storage Material with Photocuring, Photothermal Conversion, and Self-Cleaning Performance via a Two-Layer Structure.  ACS Applied Materials & Interfaces,      [PMID:36514297] [10.1021/acsami.2c18748]

2. Yazhou Tian, Qiong Wang, Jue Cheng, Junying Zhang.  (2020)  A fully biomass based monomer from itaconic acid and eugenol to build degradable thermosets via thiol–ene click chemistry.  GREEN CHEMISTRY,  22  (3): (921-932).  [PMID:] [10.1039/C9GC03931G]

3. Qiang Xia, Hairong Wang, Yuanting Dai, Zijun Mao, Xiang Hao, Feng Peng.  (2025)  Photosynthesis-Inspired Enhancement of Cellulose Bioplastics Using Hemicellulose-Derived Biodegradable Polyesters.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202417076]

4. Hongzhe Zhao, Pengcheng Li, Yanqing Wang, Picheng Chen, Yu Ding, Yuetao Liu, Fengchen Qiao, Yumin Wu, Li Ding, Chuanhui Gao.  (2025)  Sustainable closed-loop recycling of vinylogous urethan-based covalent adaptable networks: Impact of branching nodes on mechanical strength and recyclability.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162306]