1,4-Benzenedithiol - ≥98%(GC) , CAS No.624-39-5

CAS: 624-39-5 Cat. No.: B151928 Formula: C₆H₆S₂ Molecular Weight: 142.23 Beilstein Registry Number: 6(4)5840 EC Number: 677-344-9

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00142541 | 1,4-Benzenedithiol | BBL103921 | Dithiohydroquinone | SCHEMBL64710 | GEO-04155 | CALCIUMUNDECYLENATE | C6H6S2 | 4-mercaptothiophenol | B1505 | DTXSID80405615 | AMY22355 | 1,4-Benzenendithiol | AKOS005207204 | MS-20722 | FT-0606769 | benzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Benzene-1,4-dithiol (BDT) is a class of aromatic dithiol that can be used to form a self-assembled monolayer (SAM) on a variety of surfaces.

Specifications

Synonyms

MFCD00142541 | 1,4-Benzenedithiol | BBL103921 | Dithiohydroquinone | SCHEMBL64710 | GEO-04155 | CALCIUMUNDECYLENATE | C6H6S2 | 4-mercaptothiophenol | B1505 | DTXSID80405615 | AMY22355 | 1,4-Benzenendithiol | AKOS005207204 | MS-20722 | FT-0606769 | benzene

Specifications & Purity

≥98%(GC)

Application

BDT can be used as a cross-linker that facilitates the development of acrylate based light sensitive epoxidized soya bean oil for 3D printing applications. Gold based nanoconstrictions can be fabricated by functionalizing the surface with BDT, which reduc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Product Line

B151928-100mg

Names and Identifiers

Pubchem Sid

508807105

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807105

Canonical Smiles

C1=CC(=CC=C1S)S

IUPAC Name

benzene-1,4-dithiol

InChIKey

WYLQRHZSKIDFEP-UHFFFAOYSA-N

INCHI

1S/C6H6S2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

Isomeric SMILES

C1=CC(=CC=C1S)S

Molecular Weight

142.23

Beilstein

6(4)5840

Reaxy-Rn

1680022

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Benzene and substituted derivatives Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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 water.
• Sensitivity: Air & Moisture Sensitive
• Melt Point(°C): 96.0 - 99.0 °C
• Molecular Weight: 142.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.991 Da
• Monoisotopic Mass: 141.991 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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