4-(Mercaptomethyl)benzoic acid

Base Information

Chemical Name:4-(Mercaptomethyl)benzoic acid
CAS No.:39088-65-8
Molecular Formula:C8H8O2S
Molecular Weight:168.216
Hs Code.:2930909090
European Community (EC) Number:254-286-9
DSSTox Substance ID:DTXSID20192335
Nikkaji Number:J261.305K
Wikidata:Q83064991
Mol file:39088-65-8.mol

Synonyms:4-(Mercaptomethyl)benzoic acid;39088-65-8;4-(Sulfanylmethyl)benzoic acid;EINECS 254-286-9;4-mercaptomethylbenzoic acid;thio-p-toluic acid;SCHEMBL315781;4-(sulfanylmethyl) benzoic acid;Benzoic acid, 4-mercaptomethyl-;DTXSID20192335;4-(Sulfanylmethyl)benzoic acid #;HMS1783B06;Benzoic acid, 4-(mercaptomethyl)-;MFCD00086386;AKOS008968713;BS-13387;4-(mercaptomethyl)benzoic acid, AldrichCPR;FT-0705064;EN300-11629;F78981;Z57989315

Suppliers and Price of 4-(Mercaptomethyl)benzoic 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

American Custom Chemicals Corporation
4-(MERCAPTOMETHYL)BENZOIC ACID 95.00%
1G
$ 692.46

Alichem
4-(Mercaptomethyl)benzoicacid
100g
$ 6880.00

Alichem
4-(Mercaptomethyl)benzoicacid
25g
$ 2278.00

Acrotein
4-(Mercaptomethyl)benzoicacid 97%
1g
$ 275.00

Absolute Chiral
4-(mercaptomethyl)benzoicacid 95%
250 mg
$ 198.00

Absolute Chiral
4-(mercaptomethyl)benzoicacid 95%
100 mg
$ 98.00

Total 14 raw suppliers

Chemical Property of 4-(Mercaptomethyl)benzoic acid

Chemical Property:

Vapor Pressure:4.29E-05mmHg at 25°C
Melting Point:176 °C
Boiling Point:336.8°Cat760mmHg
PKA:4.20±0.10(Predicted)
Flash Point:157.5°C
PSA：76.10000
Density:1.271g/cm³
LogP:1.81460
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Heavy Atom Count:11
Complexity:139

Purity/Quality:

97% ^*data from raw suppliers

4-(MERCAPTOMETHYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CS)C(=O)O

Technology Process of 4-(Mercaptomethyl)benzoic acid

There total 13 articles about 4-(Mercaptomethyl)benzoic 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: 79.0%