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Bis(trimethylenedithio)tetrathiafulvalene [Organic Electronic Material] - ≥97% , CAS No.66946-49-4

Bis(trimethylenedithio)tetrathiafulvalene [Organic Electronic Material] - ≥97% , CAS No.66946-49-4

CAS: 66946-49-4 Cat. No.: B152227 Molecular Weight: 412.71

COA

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Bis(trimethylenedithio)tetrathiafulvalene [Organic Electronic Material] - ≥97% CAS No(66946-49-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

D88772 | 2-(6, 7-dihydro-5H-[1, 3]dithiolo[4, 5-b][1, 4]dithiepin-2-ylidene)-6, 7-dihydro-5H-[1, 3]dithiolo[4, 5-b][1, 4]dithiepine | MFCD00060080 | Bis(trimethylenedithio)tetrathiafulvalene | bis-(Trimethylenedithio)tetrathiafulvalene | Bis(trimethylenedithio)te

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid	504759604
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759604
Canonical Smiles	C1CSC2=C(SC1)SC(=C3SC4=C(S3)SCCCS4)S2
IUPAC Name	2-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepine
InChIKey	LSZPCLOYNFOXST-UHFFFAOYSA-N
INCHI	1S/C12H12S8/c1-3-13-7-8(14-4-1)18-11(17-7)12-19-9-10(20-12)16-6-2-5-15-9/h1-6H2
Isomeric SMILES	C1CSC2=C(SC1)SC(=C3SC4=C(S3)SCCCS4)S2
Molecular Weight	412.71
Reaxy-Rn	1655897
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1655897&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dithioles
    - Subclass 1,3-dithioles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dithioles
Subclass	1,3-dithioles
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dithioles
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	1,3-dithiole - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dithioles. These are compounds containing a 5-membered unsaturated ring with three carbon atoms, and two sulfur atoms at the 1- and 3-positions, respectively.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
I2325014	Certificate of Analysis	Sep 11, 2023	B152227
I2325015	Certificate of Analysis	Sep 11, 2023	B152227

Chemical and Physical Properties

Melt Point(°C)	250°C(lit.)
Molecular Weight	412.800 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	411.87 Da
Monoisotopic Mass	411.87 Da
Topological Polar Surface Area	202.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	432.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

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