5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic acid

Base Information

Chemical Name:5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic acid
CAS No.:90564-11-7
Molecular Formula:C₉H₉NO₃S
Molecular Weight:211.241
Hs Code.:
DSSTox Substance ID:DTXSID10366922
Wikidata:Q82152405
ChEMBL ID:CHEMBL1429287
Mol file:90564-11-7.mol

Synonyms:5-{[(2-cyanoethyl)sulfanyl]methyl}-2-furoic acid;MLS000062490;CBKinase1_002573;CBKinase1_014973;90564-11-7;5-(2-Cyano-ethylsulfanylmethyl)-furan-2-carboxylic acid;CHEMBL1429287;DTXSID10366922;KXHJJUBTIZNZRR-UHFFFAOYSA-N;HMS1687O01;HMS2495D19;STK770021;AKOS000590750;SMR000073272;CS-0321901;EC-000.1568;5-{[(2-cyanoethyl)thio]methyl}-2-furoic acid;5-(((2-Cyanoethyl)thio)methyl)furan-2-carboxylic acid;5-{[(2-cyanoethyl)sulfanyl]methyl}furan-2-carboxylic acid;Furan-2-carboxylic acid, 5-(2-cyanoethylsulfanylmethyl)-

Suppliers and Price of 5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic 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
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Total 4 raw suppliers

Chemical Property of 5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic acid

Chemical Property:

Vapor Pressure:2.14E-08mmHg at 25°C
Melting Point:126-127 °C(Solv: ethanol, 10% (64-17-5))
Boiling Point:436.6±45.0 °C(Predicted)
PKA:3.17±0.10(Predicted)
Density:1.337±0.06 g/cm3(Predicted)
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:211.03031432
Heavy Atom Count:14
Complexity:248

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
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MSDS Files:

Useful:

Canonical SMILES:C1=C(OC(=C1)C(=O)O)CSCCC#N

Technology Process of 5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic acid

There total 2 articles about 5-{[(2-Cyanoethyl)sulfanyl]methyl}-2-furoic 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: