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(4-METHYLBENZYL)THIO]ACETIC ACID, also known as 4-methylbenzylthioacetic acid, is a chemical compound with the molecular formula C10H12OS. It has a molecular weight of 188.27 g/mol and is a thiol derivative containing a benzyl group attached to a thioacetic acid moiety. (4-METHYLBENZYL)THIO]ACETIC ACID is commonly used in the synthesis of organic compounds and pharmaceuticals.
Used in Pharmaceutical Industry:
(4-METHYLBENZYL)THIO]ACETIC ACID is used as a building block for the synthesis of various pharmaceuticals due to its unique structural characteristics and properties.
Used in Medicinal Chemistry Research:
(4-METHYLBENZYL)THIO]ACETIC ACID is used as a research compound in medicinal chemistry for exploring its potential applications in drug discovery and development.
Used in Chemical Production Industry:
(4-METHYLBENZYL)THIO]ACETIC ACID is used as a raw material in the production of certain chemical products, contributing to the synthesis of various industrial compounds.

58511-20-9

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58511-20-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 58511-20-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,5,1 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 58511-20:
(7*5)+(6*8)+(5*5)+(4*1)+(3*1)+(2*2)+(1*0)=119
119 % 10 = 9
So 58511-20-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2S/c1-8-2-4-9(5-3-8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

58511-20-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-Methyl-benzylmercapto)-essigsaeure

1.2 Other means of identification

Product number -
Other names ACETIC ACID,2-[[(4-METHYLPHENYL)METHYL]THIO]-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:58511-20-9 SDS

58511-20-9Relevant academic research and scientific papers

Benzylthioacetamide compounds and preparation method and application thereof

-

Paragraph 0047-0050, (2020/06/16)

The invention belongs to the technical field of plant growth regulators, and particularly discloses a benzylthioacetamide compound and a preparation method and application thereof. The structure of the compound is as shown in a formula I which is describe

Design, synthesis and preliminary biological evaluation of benzylsulfone coumarin derivatives as anti-cancer agents

Wang, Tao,Peng, Tao,We, Xiaoxue,Wang, Gang,Sun, Yunbo,Liu, Shuchen,Zhang, Shouguo,Wang, Lin

supporting information, (2019/11/20)

In this work, a series of benzylsulfone coumarin derivatives 5a-5o were synthesized and characterized. Kinase inhibitory activity assay indicated that most of the compounds showed considerable activity against PI3K. Anti-tumor activity studies of the active compounds were also carried out in vitro on the Hela, HepG2, H1299, HCT-116, and MCF-7 tumor cell lines by MTS assay. The structure-activity relationships (SARs) of these compounds were analyzed in detail. Compound 5h exhibited the most potent activities against the mentioned cell lines with IC50 values ranging from 18.12 to 32.60 μM, followed by 5m with IC50 values of 29.30-42.14 μM. Furthermore, 5h and 5m clearly retarded the migration of Hela cells in vitro. Next, an in silico molecular docking study was conducted to evaluate the binding models of 5h and 5m towards PI3Kαand PI3Kβ. Collectively, the above findings suggested that compounds 5h and 5m might be promising PI3K inhibitors deserving further investigation for cancer treatment.

Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow

McCaw, Patrick G.,Buckley, Naomi M.,Eccles, Kevin S.,Lawrence, Simon E.,Maguire, Anita R.,Collins, Stuart G.

, p. 3666 - 3679 (2017/04/11)

Diazo transfer to β-keto sulfoxides to form stable isolable α-diazo-β-keto sulfoxides has been achieved for the first time. Both monocyclic and benzofused ketone derived β-keto sulfoxides were successfully explored as substrates for diazo transfer. Use of continuous flow leads to isolation of the desired compounds in enhanced yields relative to standard batch conditions, with short reaction times, increased safety profile, and potential to scale up.

Synthesis and antioxidant activity of 1,4-[Bis(3-arylmethanesulfonyl pyrrolyl and pyrazolyl)]benzenes

Lavanya, Gopala,Padmavathi, Venkatapuram,Padmaja, Adivireddy

, p. 1200 - 1207 (2014/08/05)

A variety of (1,4-phenylene)bis(arylmethanesulfonylpyrroles and pyrazoles) were prepared by the cycloaddition of 1,3-dipolar reagents, tosylmethyl isocyanide and diazomethane to the Michael acceptor, 1,4-bis(E)-2- ((arylmethanesulfonyl)vinyl)benzene. All the compounds were evaluated for antioxidant activity. Amongst the tested compounds, one of them displayed excellent radical scavenging activity in all the three methods evaluated when compared with the standard Ascorbic acid. On the other hand, 1,4-(bis(3-arylmethanesulfonyl)-1H-pyrazol-4-yl)benzenes exhibited comparatively higher antioxidant activity than 1,4-(bis(3-arylmethanesulfonyl)-1H-pyrrol-4- yl) benzenes. In general, it was observed that compounds having methoxy substitutent on aromatic ring displayed greater antioxidant activity than the other substituents. ?2014 Sociedade Brasileira de Qui?mica.

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