Cas no 18771-38-5 (2-[Bis(ethylsulfanyl)methylidene]propanedinitrile)

2-[Bis(ethylsulfanyl)methylidene]propanedinitrile is a specialized organic compound featuring a dinitrile core flanked by ethylthio groups, which enhance its reactivity and utility in synthetic chemistry. Its structure makes it a valuable intermediate for constructing heterocyclic frameworks, particularly in the synthesis of sulfur-containing compounds. The ethylthio substituents contribute to improved solubility in organic solvents, facilitating its use in diverse reaction conditions. This compound is particularly advantageous in nucleophilic addition and cyclization reactions, where its electron-withdrawing nitrile groups and sulfur-based functionalities enable selective transformations. Its stability under ambient conditions further ensures ease of handling in laboratory settings.
2-[Bis(ethylsulfanyl)methylidene]propanedinitrile structure
18771-38-5 structure
Product Name:2-[Bis(ethylsulfanyl)methylidene]propanedinitrile
CAS No:18771-38-5
MF:C8H10N2S2
MW:198.308398723602
MDL:MFCD01756906
CID:2654973
PubChem ID:161256
Update Time:2025-06-08

2-[Bis(ethylsulfanyl)methylidene]propanedinitrile Chemical and Physical Properties

Names and Identifiers

    • Malononitrile, carbonyl-, diethyl mercaptole
    • Propanedinitrile, (bis(ethylthio)methylene)-
    • CP 26890
    • TAA77138
    • (Bis(ethylthio)methylene)propanedinitrile
    • DTXSID3073420
    • 2-[bis(ethylsulfanyl)methylidene]malononitrile
    • 2-(bis(ethylsulfanyl)methylidene)propanedinitrile
    • SCHEMBL11749101
    • Bis(ethylthio)methylene malononitrile
    • G28346
    • 2-(Bis-ethylsulfanylmethylene)-malononitrile
    • MFCD01756906
    • 2-[bis(ethylsulfanyl)methylidene]propanedinitrile
    • AS-6336
    • 2-cyano-3,3-bis(ethylthio)propenenitrile
    • EN300-298113
    • AKOS004121124
    • Propanedinitrile, [bis(ethylthio)methylene]-
    • 2-(Bis-ethylsulfanyl-methylene)-malononitrile
    • 822-192-2
    • 18771-38-5
    • FJQWUIXBQMGVPS-UHFFFAOYSA-N
    • 2-[Bis(ethylsulfanyl)methylidene]propanedinitrile
    • MDL: MFCD01756906
    • Inchi: 1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3
    • InChI Key: FJQWUIXBQMGVPS-UHFFFAOYSA-N
    • SMILES: S(/C(=C(\C#N)/C#N)/SCC)CC

Computed Properties

  • Exact Mass: 198.02854067Da
  • Monoisotopic Mass: 198.02854067Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 98.2?2

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2-[Bis(ethylsulfanyl)methylidene]propanedinitrile Suppliers

Amadis Chemical Company Limited
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(CAS:18771-38-5)
Order Number:A1178090
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:38
Price ($):622.0/244.0
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Amadis Chemical Company Limited
(CAS:18771-38-5)
A1178090
Purity:99%/99%
Quantity:5g/1g
Price ($):622.0/244.0
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