2-Mercapto-3-methylbenzoic acid

Base Information

Chemical Name:2-Mercapto-3-methylbenzoic acid
CAS No.:77149-11-2
Molecular Formula:C8H8O2S
Molecular Weight:168.216
Hs Code.:
DSSTox Substance ID:DTXSID60504357
Wikidata:Q82358803
Mol file:77149-11-2.mol

Synonyms:2-mercapto-3-methylbenzoic acid;77149-11-2;3-METHYL-2-SULFANYLBENZOIC ACID;Benzoic acid, 2-mercapto-3-methyl-;3-methylthiosalicylic acid;2-mercapto-3-methylbenzoicacid;SCHEMBL2960119;3-methyl-2-mercaptobenzoic acid;DTXSID60504357;IKSLUORXVBMJFU-UHFFFAOYSA-N;AKOS017530744;EN300-140820;F1904-0032

Suppliers and Price of 2-Mercapto-3-methylbenzoic 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-methyl-2-sulfanylbenzoicacid
5mg
$ 45.00

Total 6 raw suppliers

Chemical Property of 2-Mercapto-3-methylbenzoic acid

Chemical Property:

PSA：76.10000
LogP:1.98190
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:168.02450067
Heavy Atom Count:11
Complexity:158

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-2-sulfanylbenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C(=O)O)S

Technology Process of 2-Mercapto-3-methylbenzoic acid

There total 7 articles about 2-Mercapto-3-methylbenzoic 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: 65.0%

: 4389-45-1
3-methylantranilic acid

: 140-89-6
potassium ethyl xanthogenate

: 77149-11-2
3-methyl-2-mercaptobenzoic acid

Guidance literature:: 3-methylantranilic acid; With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; Cooling with ice;

potassium ethyl xanthogenate; In water; at 80 ℃;

With hydrogenchloride; In water; at 20 ℃;

Reference yield:

: 4389-45-1
3-methylantranilic acid

: 77149-11-2
3-methyl-2-mercaptobenzoic acid

Guidance literature:: Yield given. Multistep reaction;
DOI:10.1039/P19820001637

Reference yield:

: 4389-45-1
3-methylantranilic acid

: 497-19-8
sodium carbonate

: 77149-11-2
3-methyl-2-mercaptobenzoic acid

Guidance literature:: With hydrogenchloride; sodium hydroxide; sodium sulfide nonahydrate; hydrogen sulfide; sodium nitrite; In water; acetic acid;