2,2-Dimercaptosuccinic acid , CAS No.17868888

CAS: 17868888 Cat. No.: D1293810 Summenformel: C₄H₆O₄S₂ Molekulargewicht: 182.2

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

Kanonisches Lächeln

C(C(=O)O)C(C(=O)O)(S)S

IUPAC Name

2,2-bis(sulfanyl)butanedioic acid

InChIKey

QOKYAILCOIEKMY-UHFFFAOYSA-N

INCHI

1S/C4H6O4S2/c5-2(6)1-4(9,10)3(7)8/h9-10H,1H2,(H,5,6)(H,7,8)

Molekulargewicht

182.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives alpha-Mercaptocarboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thia fatty acid - Dicarboxylic acid or derivatives - 2-mercaptocarboxylic acid - Carboxylic acid - Carboxylic acid derivative - 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 thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
• 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

• Molekulargewicht: 182.200 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 181.971 Da
• Monoisotopic Mass: 181.971 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 165.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17868888, the molecular formula is C4H6O4S2, and the molecular weight is 182.2 g/mol. InChIKey QOKYAILCOIEKMY-UHFFFAOYSA-N.

What documentation is provided?

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