Acetylthio-PEG4-Alkyne - ≥95% , CAS No.1422540-88-2

CAS: 1422540-88-2 Cat. No.: A405075 분자식: C₁₃H₂₂O₅S 분자량: 290.37

GRADE & PURITY ≥95%

Synonyms

Ethanethioic Acid S-3,6,9,12-Tetraoxapentadec-14-yn-1-yl Ester | S-3,6,9,12-Tetraoxapentadec-14-yn-1-yl Ethanethioate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

Ethanethioic Acid S-3,6,9,12-Tetraoxapentadec-14-yn-1-yl Ester | S-3,6,9,12-Tetraoxapentadec-14-yn-1-yl Ethanethioate

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504772909

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772909

정식 스마일

CC(=O)SCCOCCOCCOCCOCC#C

IUPAC Name

S-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate

InChIKey

IOVXBDYSVBLUMS-UHFFFAOYSA-N

INCHI

1S/C13H22O5S/c1-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19-13(2)14/h1H,4-12H2,2H3

분자량

290.37

Reaxy-Rn

23366071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23366071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Thiocarboxylic acids and derivatives
      • Subclass Thioesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Thiocarboxylic acids and derivatives
• Subclass: Thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioesters
• Alternative Parents: Carbothioic S-esters Sulfenyl compounds Haloacetylenes and derivatives Dialkyl ethers Carboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-ester - Thiocarboxylic acid ester - Haloacetylene or derivatives - Acetylide - Sulfenyl compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).
• 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

화학 및 물리적 특성

• 감도: Light Sensitive,Moisture Sensitive,Heat Sensitive
• 발화점(°C): 171 °C
• 분자량: 290.380 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 290.119 Da
• Monoisotopic Mass: 290.119 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 261.000
• 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