Bis(phenylacetyl) Disulfide - ≥98%(HPLC) , CAS No.15088-78-5

CAS: 15088-78-5 Cat. No.: B152485 Molecular Weight: 302.41 EC Number: 692-766-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

Bis(phenylacetyl) disulphide | D70385 | Phenylacetyl disulfide, 96% | B3623 | FT-0601957 | Phenylacetyl disulfide | AC-26787 | C16H14O2S2 | AKOS015889648 | 2-Phenylacetic dithioperoxyanhydride | MFCD00513572 | SCHEMBL200592 | J-008754 | Bis(phenylacetyl)

Storage

Room temperature

Shipped In

Normal

Overview

Phenylacetyl disulfide (PADS) may be used as a sulphur transfer agent during the synthesis of phosphorothioate oligodeoxyribonucleotides

Specifications

Synonyms

Bis(phenylacetyl) disulphide | D70385 | Phenylacetyl disulfide, 96% | B3623 | FT-0601957 | Phenylacetyl disulfide | AC-26787 | C16H14O2S2 | AKOS015889648 | 2-Phenylacetic dithioperoxyanhydride | MFCD00513572 | SCHEMBL200592 | J-008754 | Bis(phenylacetyl)

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194377
• Canonical Smiles: C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2
• IUPAC Name: S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
• InChIKey: IXGZXXBJSZISOO-UHFFFAOYSA-N
• INCHI: 1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2
• WGK Germany: 2
• Molecular Weight: 302.41
• Reaxy-Rn: 2057579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic disulfides Thiocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic disulfide - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 61℃
• Molecular Weight: 302.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 302.044 Da
• Monoisotopic Mass: 302.044 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 286.000
• 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. Hongtao Zhu, Shifeng Zhang, Yongjun Chen, Xuejun Lai, Jianping Ding, Hongqiang Li, Xingrong Zeng.  (2024)  Self-Healable, Degradable, and Reprocessable Lignin-based Polyurethane Elastomer for a Flexible Strain Sensor.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c01967]