3,3'-(Ethylenedithio)dipropionitrile - ≥97% , CAS No.86180-54-3

CAS: 86180-54-3 Cat. No.: E156408 Fórmula: C₈H₁₂N₂S₂ Peso molecular: 200.32 Beilstein Registry Number: 3(3)558 Número EC: 680-044-0

CALIDAD & PUREZA ≥97%

Synonyms

NSC215744 | NSC-215744 | Propionitrile, beta,beta'-(ethylenedithio)di- | DTXSID00235436 | 3,3'-(ethane-1,2-diylbis(sulfanediyl))dipropanenitrile | 1,2-Bis(2-cyanoethyl thio)ethane | 3,3'-(1,2-Ethanediylbis(thio))bispropanenitrile | 4,7-Dithiadecanedinitri

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

NSC215744 | NSC-215744 | Propionitrile, beta,beta'-(ethylenedithio)di- | DTXSID00235436 | 3,3'-(ethane-1,2-diylbis(sulfanediyl))dipropanenitrile | 1,2-Bis(2-cyanoethyl thio)ethane | 3,3'-(1,2-Ethanediylbis(thio))bispropanenitrile | 4,7-Dithiadecanedinitri

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504756435

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756435

Sonrisas canónicas

C(CSCCSCCC#N)C#N

IUPAC Name

3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile

InChIKey

SJYFOHJCZZEPNC-UHFFFAOYSA-N

INCHI

1S/C8H12N2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2

Isómeros SMILES

C(CSCCSCCC#N)C#N

RTECS

TZ4685000

Peso molecular

200.32

Beilstein

3(3)558

Reaxy-Rn

1760850

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Punto de fusión (°C): 93 °C
• Peso molecular: 200.300 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 200.044 Da
• Monoisotopic Mass: 200.044 Da
• Topological Polar Surface Area: 98.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86180-54-3, the molecular formula is C8H12N2S2, and the molecular weight is 200.32 g/mol. InChIKey SJYFOHJCZZEPNC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.