Furan-2-carbothioamide

Base Information

• Chemical Name: Furan-2-carbothioamide
• CAS No.: 17572-09-7
• Molecular Formula: C5H5NOS
• Molecular Weight: 127.167
• Hs Code.: 2932190090
• European Community (EC) Number: 681-599-1
• DSSTox Substance ID: DTXSID90380388
• Nikkaji Number: J708.043C
• ChEMBL ID: CHEMBL2441349
• Mol file: 17572-09-7.mol

Synonyms:furan-2-carbothioamide;17572-09-7;furan-2-thiocarboxamide;2-Furancarbothioamide;Furan-2-thioamide;2-furan-thiocarboxamide;SCHEMBL3085514;CHEMBL2441349;SCHEMBL12390569;DTXSID90380388;MFCD01935200;AKOS001355783;CS-10388;FT-0626571;EN300-27388;F11945;A812107;Z235345623

Chemical Property of Furan-2-carbothioamide

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Melting Point: 129-130 °C
• Refractive Index: 1.62
• Boiling Point: 219.6 °C at 760 mmHg
• Flash Point: 86.6 °C
• PSA: 71.25000
• Density: 1.287 g/cm³
• LogP: 1.61410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

Furan-2-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=S)N

Technology Process of Furan-2-carbothioamide

There total 12 articles about Furan-2-carbothioamide 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: 97.0%

2-furancarbonitrile (617-90-3) → 2-furanthioamide (17572-09-7)

Guidance literature:

With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.0833333h;

DOI:10.1007/BF03246065

Reference yield: 88.0%

2-furaldehyde oxime (1121-47-7) → 2-furanthioamide (17572-09-7)

Guidance literature:

With ammonium sulfide; trichlorotitanium(IV) trifluoromethanesulfonate; 1-n-butyl-3-methylimidazolim bromide; at 80 ℃; for 1.25h; chemoselective reaction; Ionic liquid;

DOI:10.1016/j.tetlet.2008.09.084

Reference yield: 71.0%

furan-2-carboxylic acid amide (609-38-1) → 2-furanthioamide (17572-09-7)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/ml400239a

upstream raw materials:

furan-2-carboxylic acid amide

Brenzschleimsaeurenitril

2-furaldehyde oxime

2-furancarbonitrile

Downstream raw materials:

furan-2-carbothioic acid benzylamide

methyl 7-amino-1-benzofuran-4-carboxylate

2-methyl-1-(2-furyl)-1-propanone

3,5-bis(furan-2-yl)-1,2,4-thiadiazole

Refernces

• 1、 Wang, Hui,Xie, Shihua,Zhu, Hongjun,Zhuo, Liang. "Aerobic Visible-Light Induced Intermolecular S?N Bond Construction: Synthesis of 1,2,4-Thiadiazoles from Thioamides under Photosensitizer-Free Conditions". supporting information. p. 3398 - 3402. Retrieved 2021/06/25.
• 2、 Yadav, Arvind K.,Srivastava, Vishnu P.,Yadav, Lal Dhar S.. "Metal-free, one-pot oxidative conversion of aldehydes to primary thioamides in aqueous media". . p. 408 - 416. Retrieved 2014/01/06.