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

CAS: 624-39-5 Cat. No.: B151928 Formule: C₆H₆S₂ Poids moléculaire: 142.23 Beilstein Registry Number: 6(4)5840 Numéro CE: 677-344-9

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥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

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Product Line

B151928-100mg

Noms et identifiants

Pubchem Sid

508807105

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1S)S

Poids moléculaire

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
    • Classe Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Sensibilité: Air & Moisture Sensitive
• Point de fusion (°C): 96.0 - 99.0 °C
• Poids moléculaire: 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