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

CAS: 624-39-5 Cat. No.: B151928 Formula: C₆H₆S₂ Peso molecolare: 142.23 Beilstein Registry Number: 6(4)5840 Numero EC: 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

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Panoramica

Viene utilizzato nelle giunzioni a singola molecola nei dispositivi elettronici e nella sintesi dei nanomateriali.

Il benzene-1,4-ditiolo (BDT) è una classe di ditioli aromatici che può essere utilizzata per formare un monostrato autoassemblato (SAM) su una varietà di superfici.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Applicazione

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

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%(GC)

Product Line

B151928-100mg

Nomi e identificatori

Pubchem Sid

508807105

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

C1=CC(=CC=C1S)S

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Sensibilità: Air & Moisture Sensitive
• Punto di fusione (°C): 96.0 - 99.0 °C
• Peso molecolare: 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