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4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((4-chlorophenoxy)methyl)-3h-2 is a complex organic compound with the molecular formula C10H10ClN3O2S. It is a derivative of 1,2,4-triazole, a five-membered heterocyclic ring containing three nitrogen atoms and one sulfur atom. The compound features an amino group (-NH2) at the 4-position, a 4-chlorophenoxymethyl group at the 5-position, and a thiol group (-SH) at the 3-position. This chemical is known for its potential applications in pharmaceuticals and agrochemicals, particularly as a fungicide. Its structure allows it to interact with specific targets in fungi, thereby inhibiting their growth. The compound's synthesis and properties are of interest to researchers in the field of chemical biology, as it may offer insights into the development of new therapeutics and pest control strategies.

4413-43-8

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4413-43-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4413-43-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,1 and 3 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4413-43:
(6*4)+(5*4)+(4*1)+(3*3)+(2*4)+(1*3)=68
68 % 10 = 8
So 4413-43-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9ClN4OS/c10-6-1-3-7(4-2-6)15-5-8-12-13-9(16)14(8)11/h1-4H,5,11H2,(H,13,16)

4413-43-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione

1.2 Other means of identification

Product number -
Other names 4-amino-5-(4-chloro-phenoxymethyl)-2,4-dihydro-[1,2,4]triazole-3-thione

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:4413-43-8 SDS

4413-43-8Relevant academic research and scientific papers

Expedient discovery for novel antifungal leads: 1,3,4-Oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment

Chai, Jianqi,Chen, Min,Jin, Fei,Kong, Xiangyi,Wang, Xiaobin,Xue, Wei,Yang, Chunlong

, (2021/08/03)

Developing novel fungicide candidates are intensively promoted by the rapid emergences of resistant fungi that outbreak on agricultural production. Aiming to discovery novel antifungal leads, a series of 1,3,4-oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment were constructed for evaluating their inhibition effects against phytopathogenic fungi in vitro and in vivo. Systematically structural optimizations generated the bioactive molecule I32 that was identified as a promising inhibitor against Rhizoctonia solani with the in vivo preventative effect of 58.63% at 200 μg/mL. The observations that were captured by scanning electron microscopy and transmission electron microscopy demonstrated that the bioactive molecule I32 could induce the sprawling growth of hyphae, the local shrinkage and rupture on hyphal surfaces, the extreme swelling of vacuoles, the striking distortions on cell walls, and the reduction of mitochondria numbers. The above results provided an indispensable complement for the discovery of antifungal lead bearing a quinazolin-4(3H)-one and 1,3,4-oxadiazole fragment.

Synthesis, Antibacterial Activity, and Mechanisms of Novel 6-Sulfonyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole Derivatives

Wu, Sikai,Shi, Jing,Chen, Jixiang,Hu, Deyu,Zang, Liansheng,Song, Baoan

, p. 4645 - 4654 (2021/05/10)

A series of novel 6-sulfonyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole derivatives were designed and synthesized. CoMFA models were established to analyze the quantitative structure-activity relationships on the basis of the EC50 values of the compounds. Th

Polyethylene glycol mediated, one-pot, three-component synthetic protocol for novel 3-[3-substituted-5-mercapto-1,2,4-triazol-4-yl]-spiro-(indan-1′,2-thiazolidin)-4-ones as new class of potential antimicrobial and antitubercular agents

Pandey, Sarvesh Kumar,Ahamd, Akeel,Pandey,Nizamuddin, Khan

, p. 1233 - 1239 (2015/04/27)

A series of 3-[3-substituted-5-mercapto-1,2,4-triazol-4-yl]-spiro-(indan-1′,2-thiazolidin)-4-ones 2 were designed for the purpose of searching for novel antimicrobial agents and have been synthesized conveniently in a single step with a three-component protocol in polyethylene (400) as green reaction media. Thus, the condensation reaction between indane-1-one; 4-amino-5-mercapto-1,2,4-triazoles and mercaptoacetic acid in polyethylene glycol (400) gave quantitatively and analytically pure titled compounds 2. The structure of synthesized compound 2 is based on spectral (IR, 1H-NMR, and 13C-NMR) as well elemental analyses. These compounds have been screened for their antibacterial, antifungal, and antitubercular activities. Some of them have showed significant inhibition on fungal and bacterial growth and antitubercular activity against Mycobacterium tuberculosis. The compounds 2a, 2d, and 2e display antifungal activity against Candida albicans [minimum inhibitory concentration (MIC) 3.13, 6.25 μg/mL] and antibacterial activity against Streptococcus pneumoniae (MIC 3.13 μg/mL) of the order of standard drugs tested under similar conditions, and compound 2a showed better antitubercular activity than other compounds against M. tuberculosis (H37Rv strain, MIC 12.5 μg/mL).

Synthesis and?studies on?some?new fluorine containing triazolothiadiazines as?possible antibacterial, antifungal and?anticancer agents

Shivarama Holla,Sooryanarayana Rao,Sarojini,Akberali,Suchetha Kumari

, p. 657 - 663 (2007/10/03)

Synthesis of a series of 7-arylidene-6-(2,4-dichlorophenyl)-3-aryloxymethyl/anilinomethyl-1,2,4-t riazolo[3,4-b]-1,3,4-thiadiazines (3) by the condensation of 3-aryl-1-(2,4-dichloro-5-fluorophenyl)-2-bromo-propen-1-one (1) and 4-amino-5-mercapto-3-aryloxy

Synthesis of some new 1,2,4-triazolo[3,4-b]-thiadiazole derivatives as possible anticancer agents

Subrahmanya Bhat,Jagadeesh Prasad,Poojary, Boja,Shivarama Holla

, p. 1595 - 1603 (2007/10/03)

3-Substituted-4-amino-5-mercapto-1,2,4-triazoles are versatile synthons for constructing various biologically active heterocycles. Their cyclization with carboxylic acids gives fused five-membered derivatives, whereas with α-bromoketones gives a six-membered heterocycle. In this article we report the synthesis of a series of 1,2,4-triazolo[3,4-b]thiadiazoles 5 starting from 4-amino-3-substituted-5-mercapto-1,2,4-triazoles 3 and fluorobenzoic acids 4 using phosphorous oxychloride as cyclizing agent. Fourteen of the newly synthesized compounds were screened for anticancer properties. Four among them showed in vitro anticancer activity.

Synthesis and antibacterial activity of N-bridged heterocycles derived from aryloxymethyltriazoles

Shivarama Holla,Shridhara,Shivananda

, p. 1257 - 1262 (2007/10/03)

Reactions of 3-aryloxymethyl-4-amino-5-mercapto-1,2,4-triazoles 1 with aromatic carboxylic acids, furoic acid, oxalic acid, monochloroacetic acid and phenacyl bromide furnish various N-bridged heterocycles viz., triazolothiadiazoles, bistriazolothiadiazoles, triazolothiadiazinones and triazolothiadiazines. The structures of these N-bridged heterocycles are characterized on the basis of elemental analyses, IR, NMR and mass spectral data. Some of these compounds are also subjected to antibacterial screening studies.

Synthesis of Some Substituted 4-(5-Nitro-2-furfurylideneamino)-5-mercapto-1,2,4-triazoles and 7H-6-(5-Nitro-2-furyl)-s-triazolothiadiazines

Holla, B. Shivarama,Kalluraya, Balakrishna

, p. 683 - 685 (2007/10/02)

Seven 4-amino-3-aryloxymethyl-5-mercapto-1,2,4-triazoles (1a-g) have been synthesized and converted into 3-aryloxymethyl-4-(5-nitro-2-furfurylideneamino)-5-mercapto-1,2,4-triazoles (2a-g) and 7H-3-aryloxymethyl-6-(5-nitro-2-furyl)-s-triazolothiadiazines (3a-g).Most of the compounds of series 2 and 3 have been found to be active against both gram positive and gram negative bacteria at less than 5μg ml concentration.

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