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4,5-Bis(2-cyanoethylthio)-1,3-dithiole-2-thione - ≥98%, high purity , CAS No.132765-35-6

COA

Grade & Purity:

≥98%

Cas Number: 132765-35-6
Molecular Weight: 304.48
MDL number: MFCD01096160
PubChem CID: 2818208

In stock

Item Number

B152613

Grouped product items
SKU	Size	Availability	Price
B152613-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
B152613-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
B152613-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90

View related series

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

Basic Description

Synonyms	3,3'-[(2-Sulfanylidene-2H-1,3-dithiole-4,5-diyl)disulfanediyl]dipropanenitrile \| CCG-50870 \| MFCD01096160 \| C9H8N2S5 \| T70212 \| 4,5-bis(2-cyanoethylsulfanyl)-1,3-di-thiole-2-thione \| BRD-K51795387-001-01-9 \| HMS642I22 \| Propanenitrile, 3,3'-[(2-thioxo-1,3
Specifications & Purity	≥98%
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 1,3-dithioles Sulfenyl compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Dithiole - 1,3-dithiole - Organoheterocyclic compound - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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	3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile
INCHI	InChI=1S/C9H8N2S5/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
InChIKey	DRMGXZWMQXEMKB-UHFFFAOYSA-N
Smiles	C(CSC1=C(SC(=S)S1)SCCC#N)C#N
Isomeric SMILES	C(CSC1=C(SC(=S)S1)SCCC#N)C#N
Molecular Weight	304.48
Reaxy-Rn	6926418
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6926418&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E2430444	Certificate of Analysis	Apr 28, 2024	B152613

Chemical and Physical Properties

Melt Point(°C)	83 °C
Molecular Weight	304.500 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	303.929 Da
Monoisotopic Mass	303.929 Da
Topological Polar Surface Area	181.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	361.000
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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