3-mercaptopropionato de etilo - ≥96% , CAS No.5466-06-8

CAS: 5466-06-8 Cat. No.: E119585 Peso molecular: 134.19 Número EC: 226-771-5

GRADE & PURITY ≥96%

Synonyms

Q27253650 | 3-mercaptopropanoato de etilo | 22GQZ8P70D | ETIL-3-MERCAPTOPROPIONATO | FEMA 3677 | DTXSID7063922 | .BETA.-ÉSTER ETÍLICO DEL ÁCIDO MERCAPTOPROPIONICO | AKOS009157041 | 3-tiopropionato de etilo | InChI=1/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27253650 | 3-mercaptopropanoato de etilo | 22GQZ8P70D | ETIL-3-MERCAPTOPROPIONATO | FEMA 3677 | DTXSID7063922 | .BETA.-ÉSTER ETÍLICO DEL ÁCIDO MERCAPTOPROPIONICO | AKOS009157041 | 3-tiopropionato de etilo | InChI=1/C5H10O2S/c1-2-7-5(6)3-4-8/h8H, 2-4H2, 1H3

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488182714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182714
• Sonrisas canónicas: CCOC(=O)CCS
• IUPAC Name: ethyl 3-sulfanylpropanoate
• InChIKey: CJQWLNNCQIHKHP-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3
• Isómeros SMILES: CCOC(=O)CCS
• Peso molecular: 134.19
• Reaxy-Rn: 1745000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745000&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Moisture Sensitive
• Índice de refracción: 1.4550 to 1.4590
• Punto de inflamación (°F): 72°C(lit.)
• Punto de inflamación (°C): 72°C(lit.)
• Peso molecular: 134.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.04 Da
• Monoisotopic Mass: 134.04 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• 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. Jiaming Yang, Yonggang Zhang, Mengyuan Hao, Jianhai Zhi, Xin Qian.  (2023)  Synergistically toughened epoxy resin based on modified-POSS triggered interpenetrating network.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.125719]

2. Chen Chen, Xue-yan Zhu, Qiao-ling Gao, Fei Fang, Xiao-jun Huang.  (2016)  Surface modification of cyclomatrix polyphosphazene microsphere by thiol-ene chemistry and lectin recognition.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2016.06.116]

3. Mengyuan Hao, Jiaming Yang, Chengxi Zhu, Yonggang Zhang, Xin Qian, Jianhai Zhi, Li Liu, Yudong Huang.  (2025)  Construction of "octopus"-like POSS nanostructure triggerring interpenetrating network for high-performance epoxy thermosets and CFRP composites.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2025.111273]