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

CAS# 92-85-3

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

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25g USD 260
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Synonym: Thianthrene; AI3-00638; AI3 00638; AI300638; NSC 439; NSC-439; NSC439

IUPAC/Chemical Name: Thianthrene


InChi Code: InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H


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:

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.

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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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. 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