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3-Methylbenzyl isothiocyanate is a chemical compound that belongs to the isothiocyanate group, which is known for its diverse biological activities. 3-METHYLBENZYL ISOTHIOCYANATE is characterized by a functional group containing nitrogen, carbon, and sulfur atoms. It is a derivative of benzyl isothiocyanate, with an additional methyl group attached to the benzene ring, giving it unique properties. It has shown potential antimicrobial and antifungal activities and is being studied for its potential applications in agriculture and medicine.

3696-66-0

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3696-66-0 Usage

Uses

Used in Agricultural Applications:
3-Methylbenzyl isothiocyanate is used as a natural pesticide for its potential antimicrobial and antifungal properties, which can help protect crops from various pathogens.
Used in Medical Applications:
3-Methylbenzyl isothiocyanate is used as a potential therapeutic agent for its antimicrobial and antifungal activities, which may offer benefits in treating infections and other related health issues.
Used in Research and Development:
3-Methylbenzyl isothiocyanate is used in scientific studies to investigate its safety, toxicity, environmental impact, and long-term effects, as well as to explore its potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 3696-66-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,6,9 and 6 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3696-66:
(6*3)+(5*6)+(4*9)+(3*6)+(2*6)+(1*6)=120
120 % 10 = 0
So 3696-66-0 is a valid CAS Registry Number.

3696-66-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(isothiocyanatomethyl)-3-methylbenzene

1.2 Other means of identification

Product number -
Other names 1-isothiocyanatomethyl-3-methyl-benzene

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:3696-66-0 SDS

3696-66-0Relevant academic research and scientific papers

Application of sulfur-containing isocyanate compounds in growth inhibition of blue-green algae

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Paragraph 0042-0048; 0124-0128, (2020/04/29)

The invention relates to the application of sulfur-containing isocyanate compounds in the growth inhibition of blue-green algae. The compounds have structures as shown in a general formula I and a general formula II. In the general formula I, R1 represents a methyl group, a phenethyl group, a phenyl group, 4-methylpyridine or 3-methylpyridine. In the general formula II, M represents a carbonyl group, a methylene group and a methylene phenyl group; R3 represents hydrogen or chlorine; R4 represents oxygen, hydrogen, fluorine or chlorine; R5 represents oxygen, hydrogen, chlorine, a methyl group,fluorine, a benzene ring, bromine or a trifluoromethyl group; when R4 and R5 are oxygen, R4 and R5 are cyclized to form 1,3-dioxocyclopentene; R6 represents hydrogen, fluorine, bromine, a trifluoromethyl group, a methyl group and chlorine; and R7 represents hydrogen, a trifluoromethyl group, chlorine and bromine. The sulfur-containing isocyanate compounds with the structures as shown in the general formulas I and II provided by the invention have relatively good inhibition effect on blue-green algae, and can be used as an effective component of a blue-green algae algicide.

Differentiating Antiproliferative and Chemopreventive Modes of Activity for Electron-Deficient Aryl Isothiocyanates against Human MCF-7 Cells

Anderson, Ruthellen H.,Lensing, Cody J.,Forred, Benjamin J.,Amolins, Michael W.,Aegerter, Cassandra L.,Vitiello, Peter F.,Mays, Jared R.

, p. 1695 - 1710 (2018/08/01)

The consumption of Brassica vegetables provides beneficial effects through organic isothiocyanates (ITCs), products of the enzymatic hydrolysis of glucosinolate secondary metabolites. The ITC l-sulforaphane (l-SFN) is the principle agent in broccoli that demonstrates several modes of anticancer action. While the anticancer properties of ITCs like l-SFN have been extensively studied and l-SFN has been the subject of multiple human clinical trials, the scope of this work has largely been limited to those derivatives found in nature. Previous studies have demonstrated that structural changes in an ITC can lead to marked differences in a compound's potency to 1) inhibit the growth of cancer cells, and 2) alter cellular transcriptional profiles. This study describes the preparation of a library of non-natural aryl ITCs and the development of a bifurcated screening approach to evaluate the dose- and time-dependence on antiproliferative and chemopreventive properties against human MCF-7 breast cancer cells. Antiproliferative effects were evaluated using a commercial MTS cell viability assay. Chemopreventive properties were evaluated using an antioxidant response element (ARE)-promoted luciferase reporter assay. The results of this study have led to the identification of 1) several key structure–activity relationships and 2) lead ITCs for continued development.

Synthesis and Octopaminergic Agonist Activity of 2-(Substituted benzylamino)-2-thiazolines

Hirashima, Akinori,Yoshii, Yutaka,Eto, Morifusa

, p. 1062 - 1065 (2007/10/02)

2-(Substituted benzylamino)-2-thiazolines (SBAT) were synthesized by a hydrochloric acid-catalyzed cyclization of the corresponding thioureas, using a reaction of 2-methylthio-2-thiazoline with substituted benzylamines or by alkylating 2-amino-2-thiazoline. 2-(Alkylthio)-2-thiazolines were obtained by alkylating 2-mercaptothiazoline.Most of the SBAT compounds activated adenylate cyclase in homogenates of cockroach ventral nerve cords; the effect of introducing substituents at the phenyl of the SBAT compounds on octopaminergic agonist activity was not significant. 2--2-thiazolines and 2-(alkylthio)-2-thiazolines were not significant octopaminergic agonists.Washing removed nearly all of the activity of one of the SBAT compounds, suggesting that the SBAT compounds bound reversibly to the octopaminergic receptor.

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