2-[2-(2-Methoxyethoxy)ethoxy]-ethanethiol - ≥95% , CAS No.31521-83-2

CAS: 31521-83-2 Cat. No.: M122050 分子式: C₇H₁₆O₃S 分子量: 180.26

GRADE & PURITY ≥95%

Synonyms

mPEG3-HS

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

mPEG3-HS

仕様と純度

≥95%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: COCCOCCOCCS
• IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethanethiol
• InChIKey: DMFFSDWRRLCKKN-UHFFFAOYSA-N
• INCHI: 1S/C7H16O3S/c1-8-2-3-9-4-5-10-6-7-11/h11H,2-7H2,1H3
• 異性体SMILES: COCCOCCOCCS
• 分子量: 180.26
• Reaxy-Rn: 7196861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7196861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 180.270 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 180.082 Da
• Monoisotopic Mass: 180.082 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 70.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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