S-Acetylmercaptosuccinic anhydride（SAMSA） - ≥96% , CAS No.6953-60-2

CAS: 6953-60-2 Cat. No.: S468456 Peso molecular: 174.17 Número EC: 230-135-2 PubChem CID: 97914

GRADE & PURITY ≥96%

Synonyms

FT-0608719 | InChI=1/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3 | MFCD00005526 | F11361 | S-(2,5-Dioxotetrahydro-3-furanyl) ethanethioate # | AKOS016013110 | Ethanethioic acid,5-dioxo-3-furanyl) ester | NSC 57456 | S-Acetylmercaptosuccinic anhydride |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

S-Acetylmercaptosuccinic anhydride is an amine reactive reagent, containing a sulfhydryl group. The anhydride region opens up, when attacked by an amine nucleophile, forming amine linkage. However, during this ring opening reaction, a free carboxylate group is formed rendering the molecule negatively charged. Activity to proteins and conformation of the molecule us affected by the charge reversal.

Specifications

Sinónimos

FT-0608719 | InChI=1/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H, 2H2, 1H3 | MFCD00005526 | F11361 | S-(2, 5-Dioxotetrahydro-3-furanyl) ethanethioate # | AKOS016013110 | Ethanethioic acid, 5-dioxo-3-furanyl) ester | NSC 57456 | S-Acetylmercaptosuccinic anhydride |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)SC1CC(=O)OC1=O
• IUPAC Name: S-(2,5-dioxooxolan-3-yl) ethanethioate
• InChIKey: AHTFMWCHTGEJHA-UHFFFAOYSA-N
• INCHI: 1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3
• Isómeros SMILES: CC(=O)SC1CC(=O)OC1=O
• PubChem CID: 97914
• Peso molecular: 174.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Tetrahydrofurans Carboxylic acid anhydrides Thioesters Lactones Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Tetrahydrofuran - Lactone - Thiocarboxylic acid ester - Carbothioic s-ester - Oxacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 83-86 °C (lit.)
• Peso molecular: 174.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 173.999 Da
• Monoisotopic Mass: 173.999 Da
• Topological Polar Surface Area: 85.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1