Ethylene Mercaptoacetate - ≥95% , CAS No.123-81-9

CAS: 123-81-9 Cat. No.: E776721 Summenformel: C₆H₁₀O₄S₂ Molekulargewicht: 210.27 EG-Nummer: 204-653-4

GRADE & PURITY ≥95%

Synonyms

Ethylene Mercaptoacetate (Purified)|Ethane-1,2-diyl Bis(2-mercaptoacetate) (Purified)|Ethylene Glycol Bisthioglycolate (Purified)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

Ethylene Mercaptoacetate (Purified) | Ethane-1,2-diyl Bis(2-mercaptoacetate) (Purified) | Ethylene Glycol Bisthioglycolate (Purified)

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C(COC(=O)CS)OC(=O)CS

IUPAC Name

2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

InChIKey

PSYGHMBJXWRQFD-UHFFFAOYSA-N

INCHI

1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2

Isomere SMILES

C(COC(=O)CS)OC(=O)CS

Molekulargewicht

210.27

Reaxy-Rn

1948305

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948305&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.52
• Siedepunkt (°C): 139°C/2mmHg(lit.)
• Molekulargewicht: 210.300 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 210.002 Da
• Monoisotopic Mass: 210.002 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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