Thiopropionamide

Base Information

• Chemical Name: Thiopropionamide
• CAS No.: 631-58-3
• Molecular Formula: C3H7NS
• Molecular Weight: 89.1613
• Hs Code.: 2930909090
• European Community (EC) Number: 678-504-0
• NSC Number: 400115
• DSSTox Substance ID: DTXSID80375268
• Nikkaji Number: J136.504E
• Wikidata: Q72508924
• Mol file: 631-58-3.mol

Synonyms:Thiopropionamide;Propanethioamide;631-58-3;Thiopropanamide;propiothioamide;methylthioacetamide;3-propanethioamide;Propanethioamide #;NSC400115;thiopropionic acid amide;Propanethioamide, AldrichCPR;DTXSID80375268;AMY39288;MFCD00059864;AKOS000129439;AT14776;CS-W016672;NSC-400115;FT-0693881;T0669;EN300-37147;A868227;Z241091446;InChI=1/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5

Chemical Property of Thiopropionamide

Chemical Property:

• Appearance/Colour: Solid
• Vapor Pressure: 8.28mmHg at 25°C
• Melting Point: 40°C
• Refractive Index: 1.529
• Boiling Point: 133.9 °C at 760 mmHg
• PKA: 13.17±0.29(Predicted)
• Flash Point: 34.8 °C
• PSA: 58.11000
• Density: 1.028 g/cm³
• LogP: 1.38280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Practically insoluble in water
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 89.02992040
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

98% ^*data from raw suppliers

Thiopropionamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36-22
• Safety Statements: 22-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=S)N

Technology Process of Thiopropionamide

There total 11 articles about Thiopropionamide 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: 84.0%

propiononitrile (107-12-0) → thiopropanamide (631-58-3)

Guidance literature:

propiononitrile; With calcium hydride; tiolacetic acid; at 80 ℃; for 1h;

With water; In ethyl acetate; at 20 ℃;

DOI:10.1055/s-0029-1217711

Reference yield: 61.0%

Propionamid (79-05-0) → thiopropanamide (631-58-3)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1016/j.tet.2021.132109

Reference yield: 42.0%

methyl dithiopropionate (5415-95-2) → thiopropanamide (631-58-3)

Guidance literature:

With ammonia; In N,N-dimethyl-formamide; toluene; at 20 ℃; for 48h;

DOI:10.1002/(SICI)1099-1344(1998090)41:9<863::AID-JLCR134>3.0.CO;2-H

upstream raw materials:

thiopropionimidic acid ethyl ester

propiononitrile

Propionamid

N,N-diethyl-propionamidine

Downstream raw materials:

2,4-Diaethyl-5-methyl-thiazol

4-amino-2-ethylpyrimidine-5-carbonitrile

2-ethyl-2-thiazoline

5-Methyl-2-ethyl-Δ²-thiazolin