(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Base Information

Chemical Name:(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid
CAS No.:110167-66-3
Molecular Formula:C8H7N3O3S
Molecular Weight:225.22400
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50546887
Wikidata:Q82424827
Mol file:110167-66-3.mol

Synonyms:110167-66-3;(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid;2-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid;DTXSID50546887;MFCD08437536;2-[3-(furan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl]acetic acid;CS-0339388;2-(3-(Furan-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)acetic acid;2-(3-(Furan-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)aceticacid;[3-(Furan-2-yl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid;2-(3-(Furan-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetic acid

Suppliers and Price of (3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-aceticAcid
25mg
$ 45.00

SynQuest Laboratories
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)acetic acid
1 g
$ 527.00

Apolloscientific
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-aceticacid
1g
$ 478.00

American Custom Chemicals Corporation
(3-FURAN-2-YL-5-THIOXO-1,5-DIHYDRO-(1,2,4)TRIAZOL-4-YL)-ACETIC ACID 95.00%
5MG
$ 500.16

Total 4 raw suppliers

Chemical Property of (3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Chemical Property:

Vapor Pressure:1.59E-06mmHg at 25°C
Melting Point:229-231 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point:382.2oC at 760 mmHg
PKA:3.17±0.10(Predicted)
Flash Point:185oC
PSA：116.14000
Density:1.67g/cm3
LogP:1.28530
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:225.02081227
Heavy Atom Count:15
Complexity:331

Purity/Quality:

97% ^*data from raw suppliers

(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-aceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=COC(=C1)C2=NNC(=S)N2CC(=O)O

Technology Process of (3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

There total 3 articles about (3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic 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: 44.0%

: 93194-35-5
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid ethyl ester

: 110167-66-3
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Guidance literature:: With potassium hydroxide; In water; for 24h; Ambient temperature;

Reference yield:

: 3326-71-4
2-furoic acid hydrazide

: 110167-66-3
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / ethanol / 1.5 h / Heating

2: 78 percent / sodium ethoxide / ethanol / 24 h / Heating

3: 44 percent / KOH / H₂O / 24 h / Ambient temperature

With potassium hydroxide; sodium ethanolate; In ethanol; water;

Reference yield:

: 110167-55-0
C₁₀H₁₃N₃O₄S

: 110167-66-3
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / sodium ethoxide / ethanol / 24 h / Heating

2: 44 percent / KOH / H₂O / 24 h / Ambient temperature

With potassium hydroxide; sodium ethanolate; In ethanol; water;