3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid

Base Information

Chemical Name:3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid
CAS No.:4886-15-1
Molecular Formula:C6H7 N O2 S3
Molecular Weight:221.32
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30346600
Nikkaji Number:J139.735D
Wikidata:Q82119722
ChEMBL ID:CHEMBL1609709
Mol file:4886-15-1.mol

Synonyms:4886-15-1;3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid;3,5-Bis(methylthio)isothiazole-4-carboxylic acid;3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid;bis(methylsulfanyl)-1,2-thiazole-4-carboxylic acid;MFCD00737783;4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-;3,5-dimethylthioisothiazole-4-carboxylic acid;Maybridge3_006059;MLS000716860;SCHEMBL8304785;CHEMBL1609709;DTXSID30346600;HMS1448D09;HMS2658L07;BBL039590;STK348957;AKOS000302582;AT21229;CCG-246861;IDI1_017446;SMR000278377;CS-0262706;EU-0070503;EN300-83544;3,5-Bis(methylthio)isothiazole-4-carboxylicacid;3,5-Bis(methylthio)-4-isothiazolecarboxylic acid;A918225;AG-205/33666017;SR-01000423835;Isothiazole-4-carboxylic acid, 3,5-di(methylthio)-;SR-01000423835-1;3,5-Bis(methylsulfanyl)-4-isothiazolecarboxylic acid;3,5-Bis(methylsulfanyl)-4-isothiazolecarboxylic acid #;F0722-6554;3,5-bis-methylsulfanyl-isothiazole-4-carboxylic acid, AldrichCPR

Suppliers and Price of 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic 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

Matrix Scientific
3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid
1g
$ 378.00

Crysdot
3,5-Bis(methylthio)isothiazole-4-carboxylicacid 97%
1g
$ 318.00

Total 6 raw suppliers

Chemical Property of 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid

Chemical Property:

PSA：129.03000
LogP:2.28510
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:220.96389199
Heavy Atom Count:12
Complexity:178

Purity/Quality:

97% ^*data from raw suppliers

3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=C(C(=NS1)SC)C(=O)O

Technology Process of 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid

There total 3 articles about 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic 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:

: 4886-14-0
3,5-bis(methylthio)isothiazole-4-carboxamide

: 4886-15-1
3,5-bis(methylthio)isothiazole-4-carboxylic acid

Guidance literature:: With sulfuric acid; sodium nitrite;
DOI:10.1021/jo01026a034

Reference yield:

: 4886-13-9
3,5-bis-methylsulfanyl-isothiazole-4-carbonitrile

: 4886-15-1
3,5-bis(methylthio)isothiazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄

2: aq. H₂SO₄, aq. NaNO₂

With sulfuric acid; sodium nitrite;
DOI:10.1021/jo01026a034