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Thianthrene

CAS No.:
92-85-3
Catalog Number:
AG0035OO
Molecular Formula:
C12H8S2
Molecular Weight:
216.3219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$14
- +
25g
98%
In Stock USA
United States
$48
- +
100g
98%
In Stock USA
United States
$132
- +
500g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0035OO
Chemical Name:
Thianthrene
CAS Number:
92-85-3
Molecular Formula:
C12H8S2
Molecular Weight:
216.3219
MDL Number:
MFCD00005065
IUPAC Name:
thianthrene
InChI:
InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChI Key:
GVIJJXMXTUZIOD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(S2)cccc1
EC Number:
202-197-0
UNII:
4139V9M46H
NSC Number:
439
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.007g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.316g/mol
Monoisotopic Mass:
216.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Non inflammatory boronate based glucose-responsive insulin delivery systems. PloS one 20120101
Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry. Organic letters 20110107
Electron transfer-oxygen transfer oxygenation of sulfides catalyzed by the H5PV2Mo10O40 polyoxometalate. Journal of the American Chemical Society 20100825
Sulfoxidation with hydrogen peroxide catalyzed by [SeO(4){WO(O(2))(2)}(2)](2-). Dalton transactions (Cambridge, England : 2003) 20100621
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 of molecular modeling 20100201
(Eta5-cyclopentadienyl)[(1,2,3,4,4a,10a-eta)-1-methylthianthrene]iron(II) hexafluoridophosphate acetone 0.33-solvate. Acta crystallographica. Section C, Crystal structure communications 20091201
Photoinduced electron transfer in arylacridinium conjugates in a solid glass matrix. The journal of physical chemistry. B 20070621
Tris(thianthrene)2+ bis(dodecamethylcarba-closo-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker pi-trimer dication. Acta crystallographica. Section C, Crystal structure communications 20070601
Mu-eta1:eta1-peroxo-bridged dinuclear peroxotungstate catalytically active for epoxidation of olefins. Inorganic chemistry 20070430
Aqueous solubility data for pressurized hot water extraction for solid heterocyclic analogs of anthracene, phenanthrene and fluorene. Journal of chromatography. A 20070126
Olefin epoxidation with hydrogen peroxide catalyzed by lacunary polyoxometalate [gamma-SiW10O34H2O2]4-. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
A systematic resolution of sulfur in reticulated vitreous carbon using X-ray absorption spectroscopy. Inorganic chemistry 20061127
Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide. The Journal of organic chemistry 20060804
Reaction of thianthrene and phenoxathiin cation radicals with 2,3-dimethyl-2-butene. Chemical and electrochemical studies. The Journal of organic chemistry 20060512
Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics, and redox properties. The journal of physical chemistry. B 20060302
Room-temperature high-spin organic single molecule: nanometer-sized and hyperbranched poly[1,2,(4)-phenylenevinyleneanisylaminium]. Journal of the American Chemical Society 20060125
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. The Journal of organic chemistry 20051125
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. The Journal of organic chemistry 20050513
Conformational mobility of thianthrene-5-oxide. The Journal of organic chemistry 20050429
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. The Journal of organic chemistry 20050121
Mechanism of the oxidation of sulfides by dioxiranes: conformational mobility and transannular interaction in the oxidation of thianthrene 5-oxide. The Journal of organic chemistry 20041224
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. The Journal of organic chemistry 20041224
Synthesis and ligand properties of thianthrenophane. Organic & biomolecular chemistry 20041021
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 of the American Chemical Society 20031231
Adducts of phenoxathiin and thianthrene cation radicals with alkenes and cycloalkenes. The Journal of organic chemistry 20031114
Mass spectrometry of polyaromatic sulfur compounds in the presence of palladium(II). Journal of mass spectrometry : JMS 20030201
Mono- and bisadducts from the addition of thianthrene cation radical salts to cycloalkenes and alkenes. The Journal of organic chemistry 20020614
Oxorhenium(V) dithiolates catalyze the oxidation by tert-butyl hydroperoxide of sulfoxides and sulfides, including 4,6-dimethyldibenzothiophene. Inorganic chemistry 20020311
Role of hydrogen bonding in the oxidation of thianthrene 5-oxide with peroxy acids. The Journal of organic chemistry 20010727
Thianthrene 5-oxide as a probe for the electronic character of oxygen-transfer reactions: re-interpretation of experiments required. The Journal of organic chemistry 20010420
Properties