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 EC: 229-998-8

GRADE & PURITY UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

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

Specifications

Especificaciones y pureza

UltraBio™, ≥99%(RT)

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.

Grado

UltraBio™

Pureza

≥99%(RT)

Nombres e identificadores

PH

4.0-6.0 (25 °C, 0.1 M in H 2 O)

Sonrisas canónicas

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+

Isómeros SMILES

C([C@H]([C@H](CS)O)O)S

WGK Alemania

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
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: H 2 O: 0.1 M at 20 °C, clear, colorless
• Punto de fusión (°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