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

CAS: 6892-68-8 Cat. No.: D755561 분자식: C₄H₁₀O₂S₂ 분자량: 154.25 Beilstein Registry Number: 1719756 EC 번호: 229-998-8

GRADE & PURITY UltraBio™, ≥99%(RT)

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

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

Specifications

사양 및 순도

UltraBio™, ≥99%(RT)

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

UltraBio™

순수함

≥99%(RT)

이름과 식별자

PH

4.0-6.0 (25 °C, 0.1 M in H 2 O)

정식 스마일

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+

이성체 SMILES

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

WGK 독일

3

RTECS

KF2410000

대체 CAS

7634-42-6

분자량

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: H 2 O: 0.1 M at 20 °C, clear, colorless
• 녹는점(°C): 82-86°C
• 분자량: 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