1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-

Base Information

Chemical Name:1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-
CAS No.:16754-97-5
Molecular Formula:C₆H₄N₄S
Molecular Weight:164.191
Hs Code.:
NSC Number:87089
UNII:C6W63688JS
DSSTox Substance ID:DTXSID90168305
Nikkaji Number:J2.057.920J
Wikidata:Q83037872
Mol file:16754-97-5.mol

Synonyms:16754-97-5;1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-;2-amino-5-mercapto-1H-pyrrole-3,4-dicarbonitrile;2-amino-5-sulfanyl-1H-pyrrole-3,4-dicarbonitrile;NSC87089;C6W63688JS;NSC-87089;NSC 87089;NCIOpen2_001226;UNII-C6W63688JS;DTXSID90168305;5-Amino-2-mercapto-pyrrol-3,4-dinitril;Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-

Suppliers and Price of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-

Chemical Property:

Vapor Pressure:3.76E-13mmHg at 25°C
Boiling Point:573.3°C at 760 mmHg
Flash Point:300.5°C
Density:1.53g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:164.01566732
Heavy Atom Count:11
Complexity:246

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(#N)C1=C(NC(=C1C#N)S)N

Technology Process of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-

There total 1 articles about 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto- 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:

: 2,5-diimino-tetrahydro-thiophene-3,4-dicarbonitrile

: 623-11-0
1-methyl-4-nitrosobenzene

: 16754-97-5
2-Amino-5-mercapto-3,4-dicyan-pyrrol

Guidance literature:: DOI:10.1021/ja01544a058

Reference yield:

: 16754-97-5
2-Amino-5-mercapto-3,4-dicyan-pyrrol

: 102555-23-7
2-benzylidenamino-5-benzylmercapto-pyrrole-3,4-dicarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NaHCO₃; aqueous methanol

2: 140 - 150 °C

With methanol; sodium hydrogencarbonate;
DOI:10.1021/ja01544a058