2-(Phenylthio)ethyl acrylate - ≥98%, Contains stabilizers , CAS No.95175-38-5

CAS: 95175-38-5 Cat. No.: E730863 Molecular Weight: 208.28

GRADE & PURITY ≥98%, Contains stabilizers

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%, Contains stabilizers

Storage

Store at -20°C, Argon charged

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: C=CC(=O)OCCSC1=CC=CC=C1
• IUPAC Name: 2-phenylsulfanylethyl prop-2-enoate
• InChIKey: RHOOUTWPJJQGSK-UHFFFAOYSA-N
• INCHI: 1S/C11H12O2S/c1-2-11(12)13-8-9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
• Isomeric SMILES: C=CC(=O)OCCSC1=CC=CC=C1
• Molecular Weight: 208.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Acrylic acid esters Enoate esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Acrylic acid ester - Benzenoid - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Flash Point(°C): >110 °C
• Boil Point(°C): 100/0.05mmHg
• Molecular Weight: 208.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.056 Da
• Monoisotopic Mass: 208.056 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• 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

References

1. Jun Deng, Yanhong Song, Shuai Liu.  (2025)  Glistening-Free and Anti-Adhesive MPC-Grafted SIBS Polymer With Excellent Optical Performance for Phakic Intraocular Lens.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57055]