(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide

Base Information

• Chemical Name: (E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide
• CAS No.: 68029-46-9
• Molecular Formula: C8H6N2S2
• Molecular Weight: 194.281
• NSC Number: 275412
• DSSTox Substance ID: DTXSID10350442
• Nikkaji Number: J873.264G,J2.695.200J
• Wikidata: Q82126391

Synonyms:68029-46-9;STK519550;Propenethiamide, 2-cyano-3-(2-thienyl)-;(E)-2-Cyano-3-(thiophen-2-yl)prop-2-enethioamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;NSC275412;SCHEMBL3182233;DTXSID10350442;JWIZEODTYIBLTL-GQCTYLIASA-N;AKOS002251067;NSC-275412;2-Cyano-3-(thiophen-2-yl)prop-2-enethioamide;(2E)-2-Cyano-3-(2-thienyl)-2-propenethioamide #;(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enethioamide

Chemical Property of (E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Boiling Point: 369.9°Cat760mmHg
• Flash Point: 177.5°C
• Density: 1.405g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.99724055
• Heavy Atom Count: 12
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C1)C=C(C#N)C(=S)N
• Isomeric SMILES: C1=CSC(=C1)/C=C(\C#N)/C(=S)N

Technology Process of (E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide

There total 2 articles about (E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide 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: 87.0%

thiophene-2-carbaldehyde (98-03-3) + Cyanothioacetamide (7357-70-2) → (Z)-2-cyano-3-thien-2-ylprop-2-enethioamide (39145-35-2,68029-46-9)

Guidance literature:

aluminum oxide; In methanol; at 20 ℃; for 48h;

Reference yield: 83.5%

thiophene-2-carbaldehyde (98-03-3) + Cyanothioacetamide (7357-70-2) → 2-cyano-3-(2-thienyl)-2-propenethioamide (68029-46-9)

Guidance literature:

With triethylamine; In ethanol; for 0.416667h; Heating;

Reference yield: 88.0%

piperidine (110-89-4) + 3-oxo-N-o-tolylbutanamide (93-68-5) + 2-cyano-3-(2-thienyl)-2-propenethioamide (68029-46-9) → piperidinium 6-hydroxy-6-methyl-5-(2-methylphenyl)carbamoyl-4-(2-thienyl)-3-cyano-1,4,5,6-tetrahydropyridine-2-thiolate

Guidance literature:

In ethanol; at 20 ℃; for 3h;

DOI:10.1007/BF02323378

upstream raw materials:

thiophene-2-carbaldehyde

Cyanothioacetamide

Downstream raw materials:

3-cyano-6-phenyl-4-(2-thienyl)pyridin-2(1H)-thione

2,6-diamino-4-(thiophen-2-yl)-4H-thiopyran-3,5-dicarbonitrile

(E)-2-[4-(4-Butyl-phenyl)-thiazol-2-yl]-3-thiophen-2-yl-acrylonitrile

3-thiophen-2-yl-2-(4-p-tolyl-thiazol-2-yl)-acrylonitrile

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