Bis(4-methacryloylthiophenyl) Sulfide - ≥97%(HPLC) , CAS No.129283-82-5

CAS: 129283-82-5 Cat. No.: B152194 Molecular Weight: 386.54 EC Number: 678-024-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

4,4'-Thiodibenzenedithiol Dimethacrylate | B1662 | FT-0623042 | InChI=1/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3 | AKOS015909899 | S-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylphenyl] 2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4, 4'-Thiodibenzenedithiol Dimethacrylate | B1662 | FT-0623042 | InChI=1/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H, 1, 3H2, 2, 4H3 | AKOS015909899 | S-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylphenyl] 2

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: CC(=C)C(=O)SC1=CC=C(C=C1)SC2=CC=C(C=C2)SC(=O)C(=C)C
• IUPAC Name: S-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylphenyl] 2-methylprop-2-enethioate
• InChIKey: SPNAQSNLZHHUIJ-UHFFFAOYSA-N
• INCHI: 1S/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3
• Isomeric SMILES: CC(=C)C(=O)SC1=CC=C(C=C1)SC2=CC=C(C=C2)SC(=O)C(=C)C
• Molecular Weight: 386.54
• Reaxy-Rn: 12563770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12563770&ln=

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: Diarylthioethers
• Alternative Parents: Thiophenol esters Thiophenol ethers Benzene and substituted derivatives Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ester - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Heat Sensitive
• Melt Point(°C): 64 °C
• Molecular Weight: 386.600 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 386.047 Da
• Monoisotopic Mass: 386.047 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 467.000
• 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