S-acetyl-PEG4-t-butyl ester - ≥98% , CAS No.1818294-26-6

CAS: 1818294-26-6 Cat. No.: S597530 Molecular Weight: 380.50

GRADE & PURITY ≥98%

Synonyms

BP-20947 | SB67238 | TERT-BUTYL 2-OXO-6,9,12,15-TETRAOXA-3-THIAOCTADECAN-18-OATE | HY-141347 | tert-butyl 3-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate | S-ACETYL-PEG4-T-BUTYLESTER | MS-26231 | S-acetyl-PEG4-Boc | C70815 | AKOS0407425

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S-acetyl-PEG4-t-butyl ester is a PEG derivative containing a sulfur acetyl group and a t-butyl ester. The sulfur acetyl group can be deprotected to form a thiol group. The t-butyl ester can be removed under acidic conditions. The hydrophilic PEG linker increases the water solubility of compounds in aqueous media.

Specifications

Synonyms

BP-20947 | SB67238 | TERT-BUTYL 2-OXO-6, 9, 12, 15-TETRAOXA-3-THIAOCTADECAN-18-OATE | HY-141347 | tert-butyl 3-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate | S-ACETYL-PEG4-T-BUTYLESTER | MS-26231 | S-acetyl-PEG4-Boc | C70815 | AKOS0407425

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)SCCOCCOCCOCCOCCC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 3-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: KUEYETODKIHXFF-UHFFFAOYSA-N
• INCHI: 1S/C17H32O7S/c1-15(18)25-14-13-23-12-11-22-10-9-21-8-7-20-6-5-16(19)24-17(2,3)4/h5-14H2,1-4H3
• Isomeric SMILES: CC(=O)SCCOCCOCCOCCOCCC(=O)OC(C)(C)C
• Alternate CAS: 1818294-26-6
• Molecular Weight: 380.50

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Thiocarboxylic acids and derivatives
• Subclass: Thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioesters
• Alternative Parents: Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 380.500 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 380.187 Da
• Monoisotopic Mass: 380.187 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 355.000
• 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