2-[(2-Oxopropyl)thio]benzoic acid

Base Information

Chemical Name:2-[(2-Oxopropyl)thio]benzoic acid
CAS No.:336186-19-7
Molecular Formula:C10H10O3S
Molecular Weight:210.254
Hs Code.:
DSSTox Substance ID:DTXSID60368815
Nikkaji Number:J1.892.384J
Wikidata:Q82155648
Mol file:336186-19-7.mol

Synonyms:336186-19-7;2-[(2-oxopropyl)thio]benzoic acid;2-[(2-oxopropyl)sulfanyl]benzoic acid;2-(2-oxopropylsulfanyl)benzoic Acid;2-((2-Oxopropyl)thio)benzoic acid;2-(2-oxopropylthio)benzoic acid;2-(Acetonylthio)benzoic acid;SCHEMBL2561504;DTXSID60368815;QIFGESFKZRVPBT-UHFFFAOYSA-N;2-((2-Oxopropyl)thio)benzoicacid;MFCD06355960;AKOS001848405;2-[(2-oxopropyl)-sulfanyl]benzoic acid;CS-0308149;EN300-10967;SR-01000058269;SR-01000058269-1;Z57028528

Suppliers and Price of 2-[(2-Oxopropyl)thio]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

TRC
2-[(2-oxopropyl)thio]benzoicAcid
500mg
$ 310.00

Matrix Scientific
2-[(2-Oxopropyl)thio]benzoic acid
1g
$ 300.00

Matrix Scientific
2-[(2-Oxopropyl)thio]benzoic acid
0.500g
$ 240.00

Matrix Scientific
2-[(2-Oxopropyl)thio]benzoic acid
5g
$ 1000.00

American Custom Chemicals Corporation
2-[(2-OXOPROPYL)THIO]BENZOIC ACID 95.00%
1G
$ 721.57

AK Scientific
2-[(2-Oxopropyl)thio]benzoicacid
250mg
$ 203.00

Total 2 raw suppliers

Chemical Property of 2-[(2-Oxopropyl)thio]benzoic acid

Chemical Property:

Melting Point:153-154 °C(Solv: ethanol (64-17-5))
Boiling Point:354.2±27.0 °C(Predicted)
PKA:3.45±0.36(Predicted)
PSA：79.67000
Density:1.30±0.1 g/cm3(Predicted)
LogP:2.06590
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:210.03506535
Heavy Atom Count:14
Complexity:227

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-oxopropyl)thio]benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CSC1=CC=CC=C1C(=O)O

Technology Process of 2-[(2-Oxopropyl)thio]benzoic acid

There total 5 articles about 2-[(2-Oxopropyl)thio]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: 91.0%

: 147-93-3
Thiosalicylic acid

: 78-95-5
chloroacetone

: 336186-19-7
2-(2-oxopropylmercapto)benzoic acid

Guidance literature:: With potassium hydroxide; In methanol; for 1h; Heating;
DOI:10.1021/jo026614z

Reference yield: 63.0%

: 7283-41-2
thiosalicilyc acid

: 78-95-5
chloroacetone

: 336186-19-7
2-(2-oxopropylmercapto)benzoic acid

Guidance literature:: With potassium carbonate; In water; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

: 7647-01-0,15364-23-5
hydrogenchloride

: 147-93-3
Thiosalicylic acid

: 78-95-5
chloroacetone

: 336186-19-7
2-(2-oxopropylmercapto)benzoic acid

Guidance literature:: Thiosalicylic acid; chloroacetone; With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

hydrogenchloride; In water;