4-Pyridineethanethioamide

Base Information

• Chemical Name: 4-Pyridineethanethioamide
• CAS No.: 5451-38-7
• Molecular Formula: C7H8N2S
• Molecular Weight: 152.2168
• NSC Number: 18380
• UNII: B3IZ0TJC7Q
• DSSTox Substance ID: DTXSID40202920
• Mol file: 5451-38-7.mol

Synonyms:4-Pyridineethanethioamide;5451-38-7;2-(PYRIDIN-4-YL)ETHANETHIOAMIDE;2-pyridin-4-ylethanethioamide;4-Pyridineacetamide, thio-;Thio-4-pyridineacetamide;NSC 18380;B3IZ0TJC7Q;BRN 0002902;NSC-18380;4-22-00-00702 (Beilstein Handbook Reference);NSC18380;UNII-B3IZ0TJC7Q;4-PYRIDYLTHIOACETAMIDE;SCHEMBL3441812;SCHEMBL21450873;DTXSID40202920;YDWBSELKNDFNQZ-UHFFFAOYSA-N;AKOS000161129;LS-131558;CS-0355812;EN300-218623

Chemical Property of 4-Pyridineethanethioamide

Chemical Property:

• Vapor Pressure: 0.000402mmHg at 25°C
• Boiling Point: 316.8°C at 760 mmHg
• Flash Point: 145.4°C
• Density: 1.226g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.04081944
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CC(=S)N

Technology Process of 4-Pyridineethanethioamide

There total 2 articles about 4-Pyridineethanethioamide 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: 76.0%

pyridin-4-ylacetonitrile (13121-99-8) → Pyridyl-(4)-essigsaeure-thioamid (5451-38-7)

Guidance literature:

With hydrogen sulfide; ammonia; In methanol; at 0 - 25 ℃; for 16.5h;

Reference yield:

→ Pyridyl-(4)-essigsaeure-thioamid (5451-38-7)

Guidance literature:

4-Cyanmethyl-pyridin, A., Triethylamin, Einleiten von H2S;

upstream raw materials:

pyridin-4-ylacetonitrile