Ethylene Mercaptoacetate (Purified) - ≥97%(GC)(T) , CAS No.123-81-9

CAS: 123-81-9 Cat. No.: E302277 分子式: C₆H₁₀O₄S₂ 分子量: 210.27 EC番号: 204-653-4

グレード＆純度 ≥97%(GC)(T)

Synonyms

EINECS 204-653-4 | GDMA | DTXCID8024527 | Ethyleneglycol bis-thioglycolate | Ethylene mercaptoacetate | NCGC00255777-01 | Tox21_302245 | NSC30032 | NSC-30032 | Ethylenebis(thioglycolate) | Ethylene bis(thioglycolate) | Ethylene glycol bis(mercaptoacetate)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

仕様

同義語

EINECS 204-653-4 | GDMA | DTXCID8024527 | Ethyleneglycol bis-thioglycolate | Ethylene mercaptoacetate | NCGC00255777-01 | Tox21_302245 | NSC30032 | NSC-30032 | Ethylenebis(thioglycolate) | Ethylene bis(thioglycolate) | Ethylene glycol bis(mercaptoacetate)

仕様と純度

≥97%(GC)(T)

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥97%(GC)(T)

名前と識別子

パブケム・シド

528770466

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 屈折率: 1.52
• 沸点（°C）: 139°C/2mmHg(lit.)
• 分子量: 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