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17534-15-5,MFCD00004835
Catalog No.:AA0020UK

17534-15-5 | 1,2-BENZENEDITHIOL

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1g
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0020UK
Chemical Name:
1,2-BENZENEDITHIOL
CAS Number:
17534-15-5
Molecular Formula:
C6H6S2
Molecular Weight:
142.2418
MDL Number:
MFCD00004835
SMILES:
Sc1ccccc1S
NSC Number:
623558
Properties
Properties
 
BP:
119-120 °C17 mm Hg(lit.)  
Form:
Liquid  
MP:
22-24 °C(lit.)  
Refractive Index:
1.6565-1.6585  
Solubility:
water: slightly soluble  
Stability:
Air Sensitive  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
62.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
2.2  

Literature

Title: Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe2 complexes related to the active site of [NiFe]-hydrogenases.

Journal: Dalton transactions (Cambridge, England : 2003) 20120807

Title: The 1,2-benzenedithiole-based cyclocondensation assay: a valuable tool for the measurement of chemopreventive isothiocyanates.

Journal: Critical reviews in food science and nutrition 20120601

Title: Synthesis and photophysical properties of cyclometalated platinum(II) 1,2-benzenedithiolate complexes and heterometallic derivatives obtained from the addition of [Au(PCy3)]+ units.

Journal: Inorganic chemistry 20120507

Title: 3,5-Dimethyl-1-(4-nitro-benz-yl)pyridinium bis-(benzene-1,2-dithiol-ato-κ(2)S,S')nickelate(III).

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: 1-(4-Iodo-benz-yl)-3-methyl-pyridinium bis-(benzene-1,2-dithiol-ato)nickelate(III).

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Investigation of chemically modified barium titanate beads as surface-enhanced Raman scattering (SERS) active substrates for the detection of benzene thiol, 1,2-benzene dithiol, and rhodamine 6G.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110801

Title: Inelastic electron tunneling spectroscopy of gold-benzenedithiol-gold junctions: accurate determination of molecular conformation.

Journal: ACS nano 20110322

Title: Synthesis and evaluation of different thio-modified cellulose resins for the removal of mercury (II) ion from highly acidic aqueous solutions.

Journal: Journal of colloid and interface science 20110115

Title: In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model.

Journal: European journal of medicinal chemistry 20101101

Title: Dithiodiolate ligands: group 4 complexes and application in lactide polymerization.

Journal: Inorganic chemistry 20100503

Title: Recycle of tin thiolate compounds relevant to ammonia-borane regeneration.

Journal: Chemical communications (Cambridge, England) 20100107

Title: Octahedral monodithiolene complexes of cobalt(III) and chromium(III). Spectroscopic and density functional theoretical characterization of S,S'-coordinated benzene-1,2-dithiolate(1-) pi radicals.

Journal: Inorganic chemistry 20090706

Title: Dynamic current suppression and gate voltage response in metal-molecule-metal junctions.

Journal: Nano letters 20090701

Title: Synthesis and characterization of ruthenium bis-bipyridine mono- and disulfinato complexes.

Journal: Inorganic chemistry 20090302

Title: Monoanionic {Mn(NO)}5 and dianionic {Mn(NO)}6 thiolatonitrosylmanganese complexes: [(NO)Mn(L)2]- and [(NO)Mn(L)2]2- (LH2 = 1,2-benzenedithiol and toluene-3,4-dithiol).

Journal: Inorganic chemistry 20081201

Title: Quantification of sulforaphane mercapturic acid pathway conjugates in human urine by high-performance liquid chromatography and isotope-dilution tandem mass spectrometry.

Journal: Chemical research in toxicology 20081001

Title: 1,2-Bis(undecyl-sulfan-yl)benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: Zinc, cadmium, and mercury 1,2-benzenedithiolates with intramolecular NH...S hydrogen bonds.

Journal: Inorganic chemistry 20080407

Title: Improved synthesis methods of standards used for quantitative determination of total isothiocyanates from broccoli in human urine.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070601

Title: Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Induction of apoptosis in HT-29 cells by extracts from isothiocyanates-rich varieties of Brassica oleracea.

Journal: Nutrition and cancer 20070101

Title: Synthesis, structure, and characterization of molybdenum(VI) imido complexes with N-salicylidene-2-aminophenol.

Journal: Inorganic chemistry 20060710

Title: In situ scanning tunneling microscopy of 1,6-hexanedithiol, 1,9-nonanedithiol, 1,2-benzenedithiol, and 1,3-benzenedithiol adsorbed on pt(111) electrodes.

Journal: Langmuir : the ACS journal of surfaces and colloids 20060523

Title: Vibrational markers for the open-shell character of transition metal bis-dithiolenes: an infrared, resonance raman, and quantum chemical study.

Journal: Journal of the American Chemical Society 20060405

Title: Electrodeposition of Au monolayer on Pt(111) mediated by self-assembled monolayers.

Journal: Journal of the American Chemical Society 20060322

Title: Chemopreventive functions of isothiocyanates.

Journal: Drug news & perspectives 20050901

Title: Rhenium(V) complexes with thiolato and dithiolato ligands: synthesis, structures, and monomerization reactions.

Journal: Inorganic chemistry 20050516

Title: The electronic structure of the isoelectronic, square-planar complexes [FeII(L)2]2- and [CoIII(L Bu)2]- (L2- and (L Bu)2-=benzene-1,2-dithiolates): an experimental and density functional theoretical study.

Journal: Journal of the American Chemical Society 20050330

Title: Chances and limits of the coordination chemistry with bis(benzene-l,2-dithiolato) ligands.

Journal: Bioinorganic chemistry and applications 20050101

Title: Isothiocyanates in cancer prevention.

Journal: Drug metabolism reviews 20041001

Title: A dinuclear, triple-stranded helicate with a diamide-bridged catechol/benzenedithiol ligand.

Journal: Angewandte Chemie (International ed. in English) 20040913

Title: Identification and quantitation by high-performance liquid chromatography of mancozeb following derivatization by 1,2-benzenedithiol.

Journal: Journal of analytical toxicology 20040101

Title: [Determination of isothiocyanates in human urine by high performance liquid chromatography].

Journal: Se pu = Chinese journal of chromatography 20040101

Title: Synthesis and EPR characterization of new models for the one-electron reduced molybdenum site of sulfite oxidase.

Journal: Inorganic chemistry 20031006

Title: Do S,S'-coordinated o-dithiobenzosemiquinonate(1-) radicals exist in coordination compounds? the [AuIII(1,2-C6H4S2)2]1 -/0 couple.

Journal: Inorganic chemistry 20030630

Title: Reaction of thiols with 7-methylbenzopentathiepin.

Journal: Bioorganic & medicinal chemistry letters 20030407

Title: New oxovanadium bis(1,2-dithiolate) compounds that mimic the hydrogen-bonding interactions at the active sites of mononuclear molybdenum enzymes.

Journal: Inorganic chemistry 20021230

Title: Quantitative determination of dithiocarbamates in human plasma, serum, erythrocytes and urine: pharmacokinetics of broccoli sprout isothiocyanates in humans.

Journal: Clinica chimica acta; international journal of clinical chemistry 20020201

Title: Syntheses, reactivity, and pi-donating ligand metathesis reaction of five-coordinate sixteen-electron manganese(I) complexes: crystal structures of [Mn(CO(3)(-TeC(6)H(4)-o-NH-)](-), [(Mn(CO)(3))2(mu-SC(6)H(4)-o-S--S--C(6)H(4)-o-mu-S--)], [(CO)(3)Mn(mu-SC(6)H(4)-o-NH(2)-)]2, and [(CO)(3)Mn(mu-SC(8)N(2)H(4)-o-S-)](2)(2-).

Journal: Inorganic chemistry 20010702

Title: Liquid chromatographic methods for chloral hydrate determination.

Journal: Journal of chromatography. A 20010622

Title: High-performance liquid chromatography-based determination of total isothiocyanate levels in human plasma: application to studies with 2-phenethyl isothiocyanate.

Journal: Analytical biochemistry 20010415

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