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

CAS: 6892-68-8 Cat. No.: D755561 Formule: C₄H₁₀O₂S₂ Poids moléculaire: 154.25 Beilstein Registry Number: 1719756 Numéro CE: 229-998-8

GRADE & PURITY UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

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

Specifications

Spécifications et pureté

UltraBio™, ≥99%(RT)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

UltraBio™

Pureté

≥99%(RT)

Noms et identifiants

• PH: 4.0-6.0 (25 °C, 0.1 M in H 2 O)
• Sourires canoniques: 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+
• Isomères SMILES: C([C@H]([C@H](CS)O)O)S
• WGK Allemagne: 3
• RTECS: KF2410000
• CAS alternatif: 7634-42-6
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: H 2 O: 0.1 M at 20 °C, clear, colorless
• Point de fusion (°C): 82-86°C
• Poids moléculaire: 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