Ethyl thioglycolate - ≥98% , CAS No.623-51-8

CAS: 623-51-8 Cat. No.: E109439 Molecular Weight: 120.17 Beilstein Registry Number: 605581 EC Number: 210-800-3

GRADE & PURITY ≥98%

Synonyms

InChI=1/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H | W-105004 | ETHYL THIOGLYCOLATE [INCI] | Acetic acid, 2-mercapto-, ethyl ester | Acetic acid,mercapto-,ethylester | Ethyl mercaptoacetate | ethyl mercapto-acetate | CAS-623-51-8 | F21271 | WLN: SH1VO2 | 2-ethyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

InChI=1/C4H8O2S/c1-2-6-4(5)3-7/h7H, 2-3H2, 1H | W-105004 | ETHYL THIOGLYCOLATE [INCI] | Acetic acid, 2-mercapto-, ethyl ester | Acetic acid, mercapto-, ethylester | Ethyl mercaptoacetate | ethyl mercapto-acetate | CAS-623-51-8 | F21271 | WLN: SH1VO2 | 2-ethyl

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181578
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181578
• Canonical Smiles: CCOC(=O)CS
• IUPAC Name: ethyl 2-sulfanylacetate
• InChIKey: PVBRSNZAOAJRKO-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
• Isomeric SMILES: CCOC(=O)CS
• WGK Germany: 3
• RTECS: AI6650000
• UN Number: 1992
• Molecular Weight: 120.17
• Beilstein: 605581
• Reaxy-Rn: 605581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water.
• Sensitivity: Light & Air & moisture sensitive.
• Refractive Index: 1.4571
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47℃
• Boil Point(°C): 54°C
• Melt Point(°C): -80°C
• Molecular Weight: 120.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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

References

1. Jie Mao, Jing Li, Wang Lin, Faliang Luo.  (2023)  Polybutadiene Dielectric Elastomers with High Dielectric Constant and Ultralow Dielectric Loss via Tuning Grafted Polar Groups.  MACROMOLECULAR RAPID COMMUNICATIONS,  44  (10): (2200971).  [PMID:37002911] [10.1002/marc.202200971]

2. Bingzheng Jiang, Dong Chen, Li Wang, Wantai Yang.  (2023)  A novel approach to methoxy polyethylene glycol-grafted sulfonated poly(maleic anhydride-alt-styrene) as superplasticizers in cement pastes.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2023.130598]

3. Lingxiao Ma, Xiuzhong Zhu, Wanbin Zhang, Haitao Zhang, Jianyong Wang, Jianbo Qu.  (2021)  Study on the preparation and performance comparison of side-chain hydroxyl-terminated polybutadiene derivatives with narrowly molecular weight distribution used for polyurethane.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2021.107389]

4. Zheng Sun, Qiang Huang, Liqun Zhang, Youzhi Wang, Youping Wu.  (2017)  Tailoring silica–rubber interactions by interface modifiers with multiple functional groups.  RSC Advances,  7  (62): (38915-38922).  [PMID:] [10.1039/C7RA07321F]

5. Ruixin Xu, Xiaoyuan Guan, Minghui He, Jianwen Yang.  (2016)  Phototriggered base proliferation: a powerful 365 nm LED photoclick tool for nucleophile-initiated thiol-Michael addition reaction.  RSC Advances,  7  (2): (914-918).  [PMID:] [10.1039/C6RA25906E]

6. Bingzheng Jiang, Jiaxin Li, Dong Chen, Li Wang, Wantai Yang.  (2024)  Synthesis and performance of sulfonated poly(styrene-alt-maleic anhydride) for coal-water slurry: The effect of structure on slurryability and stability.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.133154]

7. Gangqiang Yuan, Xiaoxi Luo, Kui He, Yue Tan, Caiming Luo, Ben Liu, Yidan Sun, Jinbin Liu.  (2025)  Intratumoral self-assembly of renal-clearable gold nanoparticles as precise photothermal nanomedicine for liver tumor therapy.  Science Advances,  11  (17):   [PMID:40267199] [10.1126/sciadv.adw7032]