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MedKoo Cat#: 591673 | Name: Thianthrene
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Thianthrene is a sulfur-containing heterocyclic chemical compound. It is a derivative of the parent heterocycle called dithiin. It is notable for its ease of oxidation.

Chemical Structure

Thianthrene
Thianthrene
CAS#92-85-3

Theoretical Analysis

MedKoo Cat#: 591673

Name: Thianthrene

CAS#: 92-85-3

Chemical Formula: C12H8S2

Exact Mass: 216.0067

Molecular Weight: 216.32

Elemental Analysis: C, 66.63; H, 3.73; S, 29.64

Price and Availability

Size Price Availability Quantity
5g USD 250.00 2 Weeks
25g USD 450.00 2 weeks
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Related CAS #
No Data
Synonym
Thianthrene; AI3-00638; AI3 00638; AI300638; NSC 439; NSC-439; NSC439
IUPAC/Chemical Name
Thianthrene
InChi Key
GVIJJXMXTUZIOD-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
SMILES Code
C12=CC=CC=C1SC3=C(C=CC=C3)S2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 216.32 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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PubMed PMID: 27560772. 5: Dar T, Shah K, Moghtaderi B, Page AJ. Formation of persistent organic pollutants from 2,4,5-trichlorothiophenol combustion: a density functional theory investigation. J Mol Model. 2016 Jun;22(6):128. doi: 10.1007/s00894-016-2987-z. Epub 2016 May 14. PubMed PMID: 27179803. 6: Liu H, Yao L, Li B, Chen X, Gao Y, Zhang S, Li W, Lu P, Yang B, Ma Y. Excimer-induced high-efficiency fluorescence due to pairwise anthracene stacking in a crystal with long lifetime. Chem Commun (Camb). 2016 May 31;52(46):7356-9. doi: 10.1039/c6cc01993e. PubMed PMID: 27109552. 7: Ma T, Zhao Q, Wang J, Pan Z, Chen J. A Sulfur Heterocyclic Quinone Cathode and a Multifunctional Binder for a High-Performance Rechargeable Lithium-Ion Battery. Angew Chem Int Ed Engl. 2016 May 23;55(22):6428-32. doi: 10.1002/anie.201601119. Epub 2016 Apr 15. PubMed PMID: 27080745. 8: Xie G, Li X, Chen D, Wang Z, Cai X, Chen D, Li Y, Liu K, Cao Y, Su SJ. Evaporation- and Solution-Process-Feasible Highly Efficient Thianthrene-9,9',10,10'-Tetraoxide-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Efficiency Roll-Off. Adv Mater. 2016 Jan 6;28(1):181-7. doi: 10.1002/adma.201503225. Epub 2015 Nov 9. PubMed PMID: 26551788. 9: Xu F, Shi X, Li Y, Zhang Q. Mechanistic and Kinetic Studies on the Homogeneous Gas-Phase Formation of PCTA/DTs from 2,4-Dichlorothiophenol and 2,4,6-Trichlorothiophenol. Int J Mol Sci. 2015 Aug 28;16(9):20449-67. doi: 10.3390/ijms160920449. PubMed PMID: 26343647; PubMed Central PMCID: PMC4613213. 10: Speer ME, Kolek M, Jassoy JJ, Heine J, Winter M, Bieker PM, Esser B. Thianthrene-functionalized polynorbornenes as high-voltage materials for organic cathode-based dual-ion batteries. Chem Commun (Camb). 2015 Oct 25;51(83):15261-4. doi: 10.1039/c5cc04932f. PubMed PMID: 26235336. 11: Pawliczek M, Garve LK, Werz DB. Exploiting amphiphilicity: facile metal free access to thianthrenes and related sulphur heterocycles. Chem Commun (Camb). 2015 Jun 4;51(44):9165-8. doi: 10.1039/c5cc01757b. PubMed PMID: 25948531. 12: Choto P, Rasmussen K, Grampp G. Investigation of solvent dynamic effects on the electron self-exchange in two thianthrene couples with large inner reorganization energies. Phys Chem Chem Phys. 2015 Feb 7;17(5):3415-20. doi: 10.1039/c4cp04581e. Epub 2014 Dec 22. PubMed PMID: 25529308. 13: Khedkar S, Shanker R. Isolation and classification of a soil actinomycete capable of sulphur-specific biotransformation of dibenzothiophene, benzothiophene and thianthrene. J Appl Microbiol. 2015 Jan;118(1):62-74. doi: 10.1111/jam.12665. Epub 2014 Nov 30. PubMed PMID: 25319398. 14: Ahmad A, Chauhan AK, Javed S, Kumar A. Desulfurization of thianthrene by a Gordonia sp. IITR100. Biotechnol Lett. 2014 Nov;36(11):2209-14. doi: 10.1007/s10529-014-1606-2. Epub 2014 Aug 12. PubMed PMID: 25113826. 15: Poleschner H, Seppelt K. XeF(2) /fluoride acceptors as versatile one-electron oxidants. Angew Chem Int Ed Engl. 2013 Dec 2;52(49):12838-42. doi: 10.1002/anie.201307161. Epub 2013 Oct 11. PubMed PMID: 24127390. 16: Peintinger MF, Beck J, Bredow T. Charged stacks of dithiin, diselenin, thianthrene and selenanthrene radical cations: long range multicenter bonds. Phys Chem Chem Phys. 2013 Nov 14;15(42):18702-9. doi: 10.1039/c3cp53410c. PubMed PMID: 24080984. 17: Pavliček N, Fleury B, Neu M, Niedenführ J, Herranz-Lancho C, Ruben M, Repp J. Atomic force microscopy reveals bistable configurations of dibenzo[a,h]thianthrene and their interconversion pathway. Phys Rev Lett. 2012 Feb 24;108(8):086101. Epub 2012 Feb 23. PubMed PMID: 22463545. 18: Di Stefano S, Mazzonna M, Bodo E, Mandolini L, Lanzalunga O. Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry. Org Lett. 2011 Jan 7;13(1):142-5. doi: 10.1021/ol102715p. Epub 2010 Dec 1. PubMed PMID: 21121645. 19: Khenkin AM, Leitus G, Neumann R. Electron transfer-oxygen transfer oxygenation of sulfides catalyzed by the H5PV2Mo10O40 polyoxometalate. J Am Chem Soc. 2010 Aug 25;132(33):11446-8. doi: 10.1021/ja105183w. PubMed PMID: 20669975. 20: Kamata K, Hirano T, Ishimoto R, Mizuno N. Sulfoxidation with hydrogen peroxide catalyzed by [SeO(4){WO(O(2))(2)}(2)](2-). Dalton Trans. 2010 Jun 21;39(23):5509-18. doi: 10.1039/c002318c. Epub 2010 May 7. PubMed PMID: 20454716.