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

CAS: 6892-68-8 Cat. No.: D755561 Formula: C₄H₁₀O₂S₂ Molecular Weight: 154.25 Beilstein Registry Number: 1719756 EC Number: 229-998-8

GRADE & PURITY UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

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

Specifications

Specifications & Purity

UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

UltraBio™

Purity

≥99%(RT)

Names and Identifiers

• PH: 4.0-6.0 (25 °C, 0.1 M in H 2 O)
• Canonical Smiles: 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+
• Isomeric SMILES: C([C@H]([C@H](CS)O)O)S
• WGK Germany: 3
• RTECS: KF2410000
• Alternate CAS: 7634-42-6
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: H 2 O: 0.1 M at 20 °C, clear, colorless
• Melt Point(°C): 82-86°C
• Molecular Weight: 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