MedKoo Biosciences

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

MedKoo CAT#: 591673

CAS#: 92-85-3

Description: 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

CAS# 92-85-3

Instruction

Theoretical Analysis

MedKoo Cat#: 591673
Name: Thianthrene
CAS#: 92-85-3
Chemical Formula: C12H8S2
Exact Mass: 216.01
Molecular Weight: 216.320
Elemental Analysis: C, 66.63; H, 3.73; S, 29.64

Price and Availability

Size	Price	Availability	Quantity
25g	USD 260
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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

Product Data:

Product Data

Instruction:

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Preparing Stock Solutions

The following data is based on the product molecular weight 216.320000000000000000000000000000 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.

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

Molarity Calculator

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

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Dilution Calculator

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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.

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Thianthrene featured