2,5-Diamino-3,4-thiophenedicarbonitrile

Base Information

• Chemical Name: 2,5-Diamino-3,4-thiophenedicarbonitrile
• CAS No.: 17989-89-8
• Molecular Formula: C6H4N4S
• Molecular Weight: 164.191
• Hs Code.: 2934999090
• European Community (EC) Number: 631-482-6
• NSC Number: 409127
• UNII: D9WCL6JS3Z
• DSSTox Substance ID: DTXSID40170877
• Nikkaji Number: J48.866F
• Wikidata: Q83040891
• Mol file: 17989-89-8.mol

Synonyms:17989-89-8;2,5-diaminothiophene-3,4-dicarbonitrile;2,5-Diamino-3,4-dicyanothiophene;2,5-Diamino-3,4-thiophenedicarbonitrile;3,4-Thiophenedicarbonitrile, 2,5-diamino-;2,4-dicyanothiophene;NSC409127;D9WCL6JS3Z;NSC 409127;BRN 0145523;MFCD00512774;NSC-409127;DIAMINOTHIOPHENE-3,4-DICARBONITRILE;5-18-12-00287 (Beilstein Handbook Reference);2,5-diamino-thiophene-3,4-dicarbonitrile;3, 2,5-diamino-;UNII-D9WCL6JS3Z;SCHEMBL11064868;DTXSID40170877;C6-H4-N4-S;BBL103664;GEO-00912;STL557474;AKOS003623585;MS-20676;LS-153064;CS-0328477;FT-0610266;A812499;W-200177

Chemical Property of 2,5-Diamino-3,4-thiophenedicarbonitrile

Chemical Property:

• Vapor Pressure: 1.68E-12mmHg at 25°C
• Refractive Index: 1.699
• Boiling Point: 558.3 °C at 760 mmHg
• Flash Point: 291.5 °C
• PSA: 127.86000
• Density: 1.53 g/cm³
• LogP: 1.81826
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 164.01566732
• Heavy Atom Count: 11
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diaminothiophene-3,4-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1=C(SC(=C1C#N)N)N

Technology Process of 2,5-Diamino-3,4-thiophenedicarbonitrile

There total 7 articles about 2,5-Diamino-3,4-thiophenedicarbonitrile 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: 95.0%

1,1,2,2,-tetracyanoethane (14778-29-1) → 2,5-diamino-thiophene-3,4-dicarbonitrile (17989-89-8)

Guidance literature:

With hydrogen sulfide; In pyridine; N,N-dimethyl-formamide; at 10 ℃;

Reference yield: 92.0%

ethenetetracarbonitrile (670-54-2) → 2,5-diamino-thiophene-3,4-dicarbonitrile (17989-89-8)

Guidance literature:

With pyridine; hydrogen sulfide;

Reference yield: 30.0%

malononitrile (109-77-3) → 2,5-diamino-thiophene-3,4-dicarbonitrile (17989-89-8)

Guidance literature:

With diethylamine; In ethanol; at 35 ℃;

DOI:10.1002/ardp.19813140213

upstream raw materials:

1,1,2,2,-tetracyanoethane

malononitrile

pyridine

carbon disulfide

Downstream raw materials:

2,5-bis-benzylidenamino-thiophene-3,4-dicarbonitrile

2,5-bis-{4-[bis-(2-cyano-ethyl)-amino]-benzylidenamino}-thiophene-3,4-dicarbonitrile

2,5-bis-(4-dimethylamino-benzylidenamino)-thiophene-3,4-dicarbonitrile

2,5-bis-salicylidenamino-thiophene-3,4-dicarbonitrile

Refernces

• 1、 Nasakin, O. E.,Alekseev, V. V.,Promonenkov, V. K.,Abramov, I. A.,Bulai, A. Kh.. "REACTION OF sym-TETRACYANOETHANE WITH THE HYDRIDES OF ELEMENTS OF SUBGROUPS VI AND VIIA". . p. 1747 - 1749. Retrieved 2007/10/02.