1,4-Dithioerythritol - UltraBio™, ≥99%(RT) , CAS No.6892-68-8

CAS: 6892-68-8 Cat. No.: D755561 Fórmula: C₄H₁₀O₂S₂ Peso molecular: 154.25 Beilstein Registry Number: 1719756 Número CE: 229-998-8

GRADE & PURITY UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Reagent for maintaining −SH groups in the reduced state; quantitatively reduces disulfides.

Specifications

Especificações e pureza

UltraBio™, ≥99%(RT)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

UltraBio™

Pureza

≥99%(RT)

Nomes e identificadores

• PH: 4.0-6.0 (25 °C, 0.1 M in H 2 O)
• Sorrisos canónicos: C(C(C(CS)O)O)S
• IUPAC Name: (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
• InChIKey: VHJLVAABSRFDPM-ZXZARUISSA-N
• INCHI: 1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
• SMILES isoméricas: C([C@H]([C@H](CS)O)O)S
• WGK Alemanha: 3
• RTECS: KF2410000
• CAS alternativo: 7634-42-6
• Peso molecular: 154.25
• Beilstein: 1719756
• Reaxy-Rn: 9483598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9483598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• External Descriptors: 1,4-dimercaptobutane-2,3-diol

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

Propriedades químicas e físicas

• Solubilidade: H 2 O: 0.1 M at 20 °C, clear, colorless
• Ponto de fusão (°C): 82-86°C
• Peso molecular: 154.300 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.012 Da
• Monoisotopic Mass: 154.012 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 52.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Referências

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