2,3-Bis[amino(phenylthio)methylene]butanedinitrile

Base Information

• Chemical Name: 2,3-Bis[amino(phenylthio)methylene]butanedinitrile
• CAS No.: 110059-07-9
• Molecular Formula: C₁₈H₁₄N₄S₂
• Molecular Weight: 350.468
• DSSTox Substance ID: DTXSID401017999
• Mol file: 110059-07-9.mol

Synonyms:SCHEMBL1801797;DTXSID401017999;110059-07-9;2,3-Bis[amino(phenylthio)methylene]butanedinitrile

Chemical Property of 2,3-Bis[amino(phenylthio)methylene]butanedinitrile

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 350.06598881
• Heavy Atom Count: 24
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2)C#N)N

Technology Process of 2,3-Bis[amino(phenylthio)methylene]butanedinitrile

There total 1 articles about 2,3-Bis[amino(phenylthio)methylene]butanedinitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1,2,2,-tetracyanoethane (14778-29-1) → 1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (110059-07-9)

Guidance literature:

With sodium hydroxide; thiophenol; acetone;

DOI:10.1021/ja01544a058

Reference yield:

1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (110059-07-9) → 2-amino-5-phenylsulfanyl-pyrrole-3,4-dicarbonitrile (99971-26-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01544a058

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (110059-07-9) → 2-amino-5-phenylsulfanyl-pyrrole-3,4-dicarbonitrile (99971-26-3)

Guidance literature:

DOI:10.1021/ja01544a058

upstream raw materials:

1,1,2,2,-tetracyanoethane

Downstream raw materials:

2-amino-5-phenylsulfanyl-pyrrole-3,4-dicarbonitrile

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