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5-Propyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione - >93.0%(HPLC), high purity , CAS No.202126-48-5

COA

Grade & Purity:

≥93%(HPLC)

Cas Number: 202126-48-5
Molecular Weight: 252.44
PubChem CID: 44629778

In stock

Item Number

P160309

Grouped product items
SKU	Size	Availability	Price	Qty
P160309-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
P160309-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$446.90

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Halogen free heterocyclic block (1207) Molecular conductor (50)

Basic Description

Synonyms	5-Propyl-[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione \| 5-Propyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione, >/=93% \| BS-43935 \| 5-propyl-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione \| A909695 \| 2-propyl-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione \| 5-Pro
Specifications & Purity	≥93%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Alkylarylthioethers Heteroaromatic compounds Dithioacetals 1,3-dithioles Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Dithiole - 1,3-dithiole - Thioacetal - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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

Names and Identifiers

IUPAC Name	2-propyl-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
INCHI	InChI=1S/C7H8S5/c1-2-3-4-9-5-6(10-4)12-7(8)11-5/h4H,2-3H2,1H3
InChIKey	QVGTUNLOIXSBRJ-UHFFFAOYSA-N
Smiles	CCCC1SC2=C(S1)SC(=S)S2
Isomeric SMILES	CCCC1SC2=C(S1)SC(=S)S2
PubChem CID	44629778
Molecular Weight	252.44

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	51 °C
Molecular Weight	252.500 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	251.923 Da
Monoisotopic Mass	251.923 Da
Topological Polar Surface Area	133.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	224.000
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

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