Home Other Building Blocks 1,4-Benzenedithiol

1,4-Benzenedithiol

CAS No.:
624-39-5
Catalog Number:
AG003DMC
Molecular Formula:
C6H6S2
Molecular Weight:
142.2418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$228
- +
5g
>98.0%(GC)
1 week
United States
$605
- +
Product Description
Catalog Number:
AG003DMC
Chemical Name:
1,4-Benzenedithiol
CAS Number:
624-39-5
Molecular Formula:
C6H6S2
Molecular Weight:
142.2418
MDL Number:
MFCD00142541
IUPAC Name:
benzene-1,4-dithiol
InChI:
InChI=1S/C6H6S2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChI Key:
WYLQRHZSKIDFEP-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)S
Properties
Complexity:
54.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.991g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.234g/mol
Monoisotopic Mass:
141.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Improved sonolytic hydrolysis of peptides in aqueous solution with addition of 1,4-benzenedithiol. Ultrasonics sonochemistry 20120501
Large-scale atomistic simulations of environmental effects on the formation and properties of molecular junctions. ACS nano 20120327
Freezing the self-assembly process of gold nanocrystals. Chemical communications (Cambridge, England) 20120204
catena-Poly[[diaqua-(2,2'-bipyridine-κN,N')zinc]-μ-2,2'-[1,4-phenylene-bis(sulfanedi-yl)]diacetato-κO:O']. Acta crystallographica. Section E, Structure reports online 20120201
Synthesis, characterization, and calculated electronic structure of the crystalline metal-organic polymers [Hg(SC6H4S)(en)]n and [Pb(SC6H4S)(dien)]n. Inorganic chemistry 20120102
Immobilization of quantum dots via conjugated self-assembled monolayers and their application as a light-controlled sensor for the detection of hydrogen peroxide. ACS nano 20111227
Benzenedithiol: a broad-range single-channel molecular conductor. Nano letters 20110914
Generation of hot spots with silver nanocubes for single-molecule detection by surface-enhanced Raman scattering. Angewandte Chemie (International ed. in English) 20110606
Orbital views of molecular conductance perturbed by anchor units. Journal of the American Chemical Society 20110420
Gate-controlled current and inelastic electron tunneling spectrum of benzene: a self-consistent study. The Journal of chemical physics 20110414
Ab initio calculations of structural evolution and conductance of benzene-1,4-dithiol on gold leads. ACS nano 20110222
Electrons, photons, and force: quantitative single-molecule measurements from physics to biology. ACS nano 20110222
Light triggered detection of aminophenyl phosphate with a quantum dot based enzyme electrode. Journal of nanobiotechnology 20110101
Electrochemically assisted fabrication of metal atomic wires and molecular junctions by MCBJ and STM-BJ methods. Chemphyschem : a European journal of chemical physics and physical chemistry 20100910
The fabrication and characterization of adjustable nanogaps between gold electrodes on chip for electrical measurement of single molecules. Nanotechnology 20100709
Recycle of tin thiolate compounds relevant to ammonia-borane regeneration. Chemical communications (Cambridge, England) 20100107
Maximizing H2 production in Photosystem I/dithiol molecular wire/platinum nanoparticle bioconjugates. Dalton transactions (Cambridge, England : 2003) 20091207
Self-assembled dynamics of silver nanoparticles and self-assembled dynamics of 1,4-benzenedithiol adsorbed on silver nanoparticles: Surface-enhanced Raman scattering study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091001
Identifying molecular signatures in metal-molecule-metal junctions. Nanoscale 20091001
Which functional groups of the molybdopterin ligand should be considered when modeling the active sites of the molybdenum and tungsten cofactors? A density functional theory study. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20090901
Dynamic current suppression and gate voltage response in metal-molecule-metal junctions. Nano letters 20090701
2,2'-(p-Phenyl-enedithio)diacetic acid. Acta crystallographica. Section E, Structure reports online 20090601
Study of SERS chemical enhancement factors using buffer layer assisted growth of metal nanoparticles on self-assembled monolayers. Journal of the American Chemical Society 20090513
Transport in state space: voltage-dependent conductance calculations of benzene-1,4-dithiol. Nano letters 20090501
[Template preparation of metal-molecule-metal junction and its SERS investigation]. Guang pu xue yu guang pu fen xi = Guang pu 20090501
Electron transmission characteristics of Au/1,4-benzenedithiol/Au junctions. Nanotechnology 20090114
Molecular transistors based on BDT-type molecular bridges. The Journal of chemical physics 20081021
Fullerene-based anchoring groups for molecular electronics. Journal of the American Chemical Society 20081008
Adsorption of 1,3-benzenedithiol and 1,3-benzenedimethanethiol on gold surfaces. Chemphyschem : a European journal of chemical physics and physical chemistry 20080825
Immobilization of enzymes through one-pot chemical preoxidation and electropolymerization of dithiols in enzyme-containing aqueous suspensions to develop biosensors with improved performance. Analytical chemistry 20080801
Theoretical investigation of electron transport modulation through benzenedithiol by substituent groups. The Journal of chemical physics 20080721
Efficient, stable infrared photovoltaics based on solution-cast colloidal quantum dots. ACS nano 20080501
Acrylate end-capped poly(ester-carbonate) and poly(ether-ester)s for polymer-on-multielectrode array devices: synthesis, photocuring, and biocompatibility. Biomacromolecules 20080301
Effects of intermolecular interaction on inelastic electron tunneling spectra. The Journal of chemical physics 20080214
Probing the chemistry of molecular heterojunctions using thermoelectricity. Nano letters 20080201
Charge-transfer interaction of aromatic thiols with 2,3-dichloro-5,6-dicyano-p-benzoquinone: spectral and quantum mechanical studies. The journal of physical chemistry. A 20071206
Molecular simulations of stretching gold nanowires in solvents. Nanotechnology 20071024
Quantum chemistry calculations for molecules coupled to reservoirs: formalism, implementation, and application to benzenedithiol. The Journal of chemical physics 20070507
Statistical approach to investigating transport through single molecules. Physical review letters 20070427
Thermoelectricity in molecular junctions. Science (New York, N.Y.) 20070316
The symmetry of single-molecule conduction. The Journal of chemical physics 20061114
Molecular origins of conduction channels observed in shot-noise measurements. Nano letters 20061101
Adsorption of benzene-1,4-dithiol on the Au(111) surface and its possible role in molecular conductance. Journal of the American Chemical Society 20060719
A theoretical study of molecular conduction. III. A nonequilibrium-Green's-function-based Hartree-Fock approach. The Journal of chemical physics 20060321
Nanowiring of a redox enzyme by metallized peptides. Biosensors & bioelectronics 20051215
Binding at molecule/gold transport interfaces. V. Comparison of different metals and molecular bridges. The Journal of chemical physics 20051215
A theoretical study of molecular conduction. II. A Hartree-Fock approach to transmission probability. The Journal of chemical physics 20051022
Reconstitution of apo-glucose dehydrogenase on pyrroloquinoline quinone-functionalized au nanoparticles yields an electrically contacted biocatalyst. Journal of the American Chemical Society 20050907
Symmetry, delocalization, and molecular conductance. The Journal of chemical physics 20050122
Theory of inelastic electric current through single molecules. Physical review letters 20041210
Enzyme-catalyzed bio-pumping of electrons into au-nanoparticles: a surface plasmon resonance and electrochemical study. Journal of the American Chemical Society 20040609
Aurophilicity-based one-dimensional arrays of gold(I) phenylene-1,3- and -1,4-dithiolates. Inorganic chemistry 20020715
Properties