92-85-3,MFCD00005065
Catalog No.:AA0035LW

92-85-3 | Thianthrene

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Purity
Availability
Price(USD)
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5g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$13.00   $9.00
- +
100g
98%
in stock  
$37.00   $26.00
- +
500g
98%
in stock  
$180.00   $126.00
- +
  • Technical Information
  • Properties
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0035LW
Chemical Name:
Thianthrene
CAS Number:
92-85-3
Molecular Formula:
C12H8S2
Molecular Weight:
216.3219
MDL Number:
MFCD00005065
SMILES:
c1ccc2c(c1)Sc1c(S2)cccc1
NSC Number:
439
Properties
Properties
 
BP:
344.9°C at 760 mmHg  
Form:
Solid  
MP:
151-155 °C  
Refractive Index:
1.6210 (estimate)  
Solubility:
DMF: soluble  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
163  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Literature

Title: Non inflammatory boronate based glucose-responsive insulin delivery systems.

Journal: PloS one 20120101

Title: Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry.

Journal: Organic letters 20110107

Title: Electron transfer-oxygen transfer oxygenation of sulfides catalyzed by the H5PV2Mo10O40 polyoxometalate.

Journal: Journal of the American Chemical Society 20100825

Title: Sulfoxidation with hydrogen peroxide catalyzed by [SeO(4){WO(O(2))(2)}(2)](2-).

Journal: Dalton transactions (Cambridge, England : 2003) 20100621

Title: Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigation.

Journal: Journal of molecular modeling 20100201

Title: (Eta5-cyclopentadienyl)[(1,2,3,4,4a,10a-eta)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20091201

Title: Photoinduced electron transfer in arylacridinium conjugates in a solid glass matrix.

Journal: The journal of physical chemistry. B 20070621

Title: Tris(thianthrene)2+ bis(dodecamethylcarba-closo-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker pi-trimer dication.

Journal: Acta crystallographica. Section C, Crystal structure communications 20070601

Title: Mu-eta1:eta1-peroxo-bridged dinuclear peroxotungstate catalytically active for epoxidation of olefins.

Journal: Inorganic chemistry 20070430

Title: Aqueous solubility data for pressurized hot water extraction for solid heterocyclic analogs of anthracene, phenanthrene and fluorene.

Journal: Journal of chromatography. A 20070126

Title: Olefin epoxidation with hydrogen peroxide catalyzed by lacunary polyoxometalate [gamma-SiW10O34H2O2]4-.

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

Title: A systematic resolution of sulfur in reticulated vitreous carbon using X-ray absorption spectroscopy.

Journal: Inorganic chemistry 20061127

Title: Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide.

Journal: The Journal of organic chemistry 20060804

Title: Reaction of thianthrene and phenoxathiin cation radicals with 2,3-dimethyl-2-butene. Chemical and electrochemical studies.

Journal: The Journal of organic chemistry 20060512

Title: Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics, and redox properties.

Journal: The journal of physical chemistry. B 20060302

Title: Room-temperature high-spin organic single molecule: nanometer-sized and hyperbranched poly[1,2,(4)-phenylenevinyleneanisylaminium].

Journal: Journal of the American Chemical Society 20060125

Title: Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols.

Journal: The Journal of organic chemistry 20051125

Title: Adducts of thianthrene- and phenoxathiin cation radical salts with symmetrical alkynes. Structure and formation of cumulenes on alumina leading to alpha-diketones, alpha-hydroxyalkynes, and alpha-acetamidoalkynes.

Journal: The Journal of organic chemistry 20050513

Title: Conformational mobility of thianthrene-5-oxide.

Journal: The Journal of organic chemistry 20050429

Title: Synthesis, conformation, and complexation of novel 25,26,27,28- tetrahydroxy-5,11:17,23-bis[[2,2'-thioxydi(o-phenylene)dithioxy]- diphenylthio]calix[4]arene.

Journal: The Journal of organic chemistry 20050121

Title: Mechanism of the oxidation of sulfides by dioxiranes: conformational mobility and transannular interaction in the oxidation of thianthrene 5-oxide.

Journal: The Journal of organic chemistry 20041224

Title: Decomposition of alkene adducts of thianthrene cation radical in nitrile solvents. Formation of alkyl-2-oxazolines and a new class of four-component products: 5-[(1-alkoxyalkylidene)ammonio]alkylthianthrenium diperchlorates.

Journal: The Journal of organic chemistry 20041224

Title: Synthesis and ligand properties of thianthrenophane.

Journal: Organic & biomolecular chemistry 20041021

Title: Electron transfer and singlet oxygen mechanisms in the photooxygenation of dibutyl sulfide and thioanisole in MeCN sensitized by N-methylquinolinium tetrafluoborate and 9,10-dicyanoanthracene. The probable involvement of a thiadioxirane intermediate in electron transfer photooxygenations.

Journal: Journal of the American Chemical Society 20031231

Title: Adducts of phenoxathiin and thianthrene cation radicals with alkenes and cycloalkenes.

Journal: The Journal of organic chemistry 20031114

Title: Mass spectrometry of polyaromatic sulfur compounds in the presence of palladium(II).

Journal: Journal of mass spectrometry : JMS 20030201

Title: Mono- and bisadducts from the addition of thianthrene cation radical salts to cycloalkenes and alkenes.

Journal: The Journal of organic chemistry 20020614

Title: Oxorhenium(V) dithiolates catalyze the oxidation by tert-butyl hydroperoxide of sulfoxides and sulfides, including 4,6-dimethyldibenzothiophene.

Journal: Inorganic chemistry 20020311

Title: Role of hydrogen bonding in the oxidation of thianthrene 5-oxide with peroxy acids.

Journal: The Journal of organic chemistry 20010727

Title: Thianthrene 5-oxide as a probe for the electronic character of oxygen-transfer reactions: re-interpretation of experiments required.

Journal: The Journal of organic chemistry 20010420

Application
Thianthrene is utilized in scientific research to investigate the aqueous solubilities of solid nitrogen-, sulfur-, and oxygen-containing heterocyclic derivatives of anthracene, phenanthrene, and fluorene. Additionally, it is employed in determining the partition coefficients of several sulfur-containing aromatics in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and supercritical carbon dioxide. Thianthrene's role in these studies aids in understanding the solubility and partitioning behavior of heterocyclic compounds in different solvent environments, contributing to advancements in analytical chemistry and environmental science.
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Related Products of 92-85-3
Tags:92-85-3 Molecular Formula|92-85-3 MDL|92-85-3 SMILES|92-85-3 Thianthrene
Catalog No.: AA0035LW
92-85-3,MFCD00005065
92-85-3 | Thianthrene
Pack Size: 5g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 25g
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 100g
Purity: 98%
in stock
$37.00 $26.00
Pack Size: 500g
Purity: 98%
in stock
$180.00 $126.00
Quantity
- +
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Technical Information
Catalog Number: AA0035LW
Chemical Name: Thianthrene
CAS Number: 92-85-3
Molecular Formula: C12H8S2
Molecular Weight: 216.3219
MDL Number: MFCD00005065
SMILES: c1ccc2c(c1)Sc1c(S2)cccc1
NSC Number: 439
Properties
BP: 344.9°C at 760 mmHg  
Form: Solid  
MP: 151-155 °C  
Refractive Index: 1.6210 (estimate)  
Solubility: DMF: soluble  
Storage: Keep in dry area;Room Temperature;  
Complexity: 163  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
Literature fold

Title: Non inflammatory boronate based glucose-responsive insulin delivery systems.

Journal: PloS one20120101

Title: Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry.

Journal: Organic letters20110107

Title: Electron transfer-oxygen transfer oxygenation of sulfides catalyzed by the H5PV2Mo10O40 polyoxometalate.

Journal: Journal of the American Chemical Society20100825

Title: Sulfoxidation with hydrogen peroxide catalyzed by [SeO(4){WO(O(2))(2)}(2)](2-).

Journal: Dalton transactions (Cambridge, England : 2003)20100621

Title: Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigation.

Journal: Journal of molecular modeling20100201

Title: (Eta5-cyclopentadienyl)[(1,2,3,4,4a,10a-eta)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate.

Journal: Acta crystallographica. Section C, Crystal structure communications20091201

Title: Photoinduced electron transfer in arylacridinium conjugates in a solid glass matrix.

Journal: The journal of physical chemistry. B20070621

Title: Tris(thianthrene)2+ bis(dodecamethylcarba-closo-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker pi-trimer dication.

Journal: Acta crystallographica. Section C, Crystal structure communications20070601

Title: Mu-eta1:eta1-peroxo-bridged dinuclear peroxotungstate catalytically active for epoxidation of olefins.

Journal: Inorganic chemistry20070430

Title: Aqueous solubility data for pressurized hot water extraction for solid heterocyclic analogs of anthracene, phenanthrene and fluorene.

Journal: Journal of chromatography. A20070126

Title: Olefin epoxidation with hydrogen peroxide catalyzed by lacunary polyoxometalate [gamma-SiW10O34H2O2]4-.

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

Title: A systematic resolution of sulfur in reticulated vitreous carbon using X-ray absorption spectroscopy.

Journal: Inorganic chemistry20061127

Title: Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide.

Journal: The Journal of organic chemistry20060804

Title: Reaction of thianthrene and phenoxathiin cation radicals with 2,3-dimethyl-2-butene. Chemical and electrochemical studies.

Journal: The Journal of organic chemistry20060512

Title: Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics, and redox properties.

Journal: The journal of physical chemistry. B20060302

Title: Room-temperature high-spin organic single molecule: nanometer-sized and hyperbranched poly[1,2,(4)-phenylenevinyleneanisylaminium].

Journal: Journal of the American Chemical Society20060125

Title: Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols.

Journal: The Journal of organic chemistry20051125

Title: Adducts of thianthrene- and phenoxathiin cation radical salts with symmetrical alkynes. Structure and formation of cumulenes on alumina leading to alpha-diketones, alpha-hydroxyalkynes, and alpha-acetamidoalkynes.

Journal: The Journal of organic chemistry20050513

Title: Conformational mobility of thianthrene-5-oxide.

Journal: The Journal of organic chemistry20050429

Title: Synthesis, conformation, and complexation of novel 25,26,27,28- tetrahydroxy-5,11:17,23-bis[[2,2'-thioxydi(o-phenylene)dithioxy]- diphenylthio]calix[4]arene.

Journal: The Journal of organic chemistry20050121

Title: Mechanism of the oxidation of sulfides by dioxiranes: conformational mobility and transannular interaction in the oxidation of thianthrene 5-oxide.

Journal: The Journal of organic chemistry20041224

Title: Decomposition of alkene adducts of thianthrene cation radical in nitrile solvents. Formation of alkyl-2-oxazolines and a new class of four-component products: 5-[(1-alkoxyalkylidene)ammonio]alkylthianthrenium diperchlorates.

Journal: The Journal of organic chemistry20041224

Title: Synthesis and ligand properties of thianthrenophane.

Journal: Organic & biomolecular chemistry20041021

Title: Electron transfer and singlet oxygen mechanisms in the photooxygenation of dibutyl sulfide and thioanisole in MeCN sensitized by N-methylquinolinium tetrafluoborate and 9,10-dicyanoanthracene. The probable involvement of a thiadioxirane intermediate in electron transfer photooxygenations.

Journal: Journal of the American Chemical Society20031231

Title: Adducts of phenoxathiin and thianthrene cation radicals with alkenes and cycloalkenes.

Journal: The Journal of organic chemistry20031114

Title: Mass spectrometry of polyaromatic sulfur compounds in the presence of palladium(II).

Journal: Journal of mass spectrometry : JMS20030201

Title: Mono- and bisadducts from the addition of thianthrene cation radical salts to cycloalkenes and alkenes.

Journal: The Journal of organic chemistry20020614

Title: Oxorhenium(V) dithiolates catalyze the oxidation by tert-butyl hydroperoxide of sulfoxides and sulfides, including 4,6-dimethyldibenzothiophene.

Journal: Inorganic chemistry20020311

Title: Role of hydrogen bonding in the oxidation of thianthrene 5-oxide with peroxy acids.

Journal: The Journal of organic chemistry20010727

Title: Thianthrene 5-oxide as a probe for the electronic character of oxygen-transfer reactions: re-interpretation of experiments required.

Journal: The Journal of organic chemistry20010420

Application fold
Thianthrene is utilized in scientific research to investigate the aqueous solubilities of solid nitrogen-, sulfur-, and oxygen-containing heterocyclic derivatives of anthracene, phenanthrene, and fluorene. Additionally, it is employed in determining the partition coefficients of several sulfur-containing aromatics in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and supercritical carbon dioxide. Thianthrene's role in these studies aids in understanding the solubility and partitioning behavior of heterocyclic compounds in different solvent environments, contributing to advancements in analytical chemistry and environmental science.
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