2-Furancarbothioic acid

Base Information

• Chemical Name: 2-Furancarbothioic acid
• CAS No.: 4741-45-1
• Molecular Formula: C5H4 O2 S
• Molecular Weight: 128.152
• DSSTox Substance ID: DTXSID90467148
• Wikidata: Q72479631
• Mol file: 4741-45-1.mol

Synonyms:2-Furancarbothioic acid;4741-45-1;furan-2-carbothioic S-acid;furan-2-thiocarboxylic acid;SCHEMBL2197120;DTXSID90467148;KXXALFSFISKXFX-UHFFFAOYSA-N;FURAN-2-CARBOTHIOIC O-ACID;AKOS006291706;FT-0722021

Chemical Property of 2-Furancarbothioic acid

Chemical Property:

• Vapor Pressure: 0.45mmHg at 25°C
• Melting Point: -9 ºC
• Refractive Index: 1.589
• Boiling Point: 194 ºC
• Flash Point: 71 ºC
• PSA: 69.01000
• Density: 1.265g/cm3
• LogP: 1.34960
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.99320054
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98% or more ^*data from raw suppliers

2-ThiofuroicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)S
• Uses: 2-Thiofuroic Acid can be synthesized from Furoyl Chloride (F865200), a compound used in the preparation of novel dibenzothiepins that show antibiofilm activity.

Technology Process of 2-Furancarbothioic acid

There total 2 articles about 2-Furancarbothioic acid 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: 81.0%

2-furancarbonyl chloride (527-69-5) → furane-2-monocarboxylic acid (4741-45-1)

Guidance literature:

With potassium hydroxide; hydrogen sulfide; In ethanol;

Reference yield:

2-furancarbonyl chloride (527-69-5) → 2-furancarbothioic acid (4741-45-1) + bis-(furan-2-carbonyl)-disulfane (51278-29-6)

Guidance literature:

With sodium hydrogensulfide;

DOI:10.1021/ja01178a604

Reference yield: 99.4%

furane-2-monocarboxylic acid (4741-45-1) + 7-Aminocephalosporanic acid (957-68-6) → (6R,7R)-7-amino-3-(furan-2-carbonylsulfanylmethyl)cephalosporanic acid (80370-59-8)

Guidance literature:

With gamma-Al₂O₂-O₂^2-Na⁺; zeolite; In water; at 20 ℃; for 2h; Large scale;

upstream raw materials:

2-furancarbonyl chloride

Downstream raw materials:

furane-2-monocarboxylic acid S-methylester

C₁₁H₈O₂SSe

ceftiofur

2-(furan-2-yl)-1,3-benzothiazole

Refernces

• 1、 Huebner, J.,Taraz, K.,Budzikiewicz, H.. "ACYLSULFENIC ACIDS". . p. 367 - 374. Retrieved 2007/10/02.