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2-(3-Methoxybenzoyl)hydrazinecarbothioamide is an organic compound with the chemical formula C9H11N3O2S. It is a derivative of hydrazinecarbothioamide, featuring a 3-methoxybenzoyl group attached to the 2-position. 2-(3-Methoxybenzoyl)hydrazinecarbothioaMide is known for its potential applications in the synthesis of various heterocyclic compounds and pharmaceuticals, particularly as an intermediate in the preparation of thiazoles and other sulfur-containing heterocycles. The 3-methoxybenzoyl moiety introduces an electron-donating group, which can influence the reactivity and properties of the molecule in chemical reactions. The compound is typically synthesized through the reaction of 3-methoxybenzoyl chloride with hydrazinecarbothioamide, and it is used in research and development for the creation of new drugs and chemical compounds.

7653-41-0

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7653-41-0 Usage

Benzoyl group

Presence of a benzoyl group (C6H5CO-)
The compound contains a benzoyl group, which is a carbonyl group (C=O) bonded to a phenyl ring (C6H5-). This group is responsible for some of the compound's chemical properties and reactivity.

Methoxy substituent

Presence of a methoxy group (-OCH3)
A methoxy group is attached to the phenyl ring in the benzoyl moiety, which can influence the compound's reactivity, polarity, and solubility.

Use in organic synthesis

As a building block or reagent
2-(3-Methoxybenzoyl)hydrazinecarbothioamide may be used as a building block or reagent in organic synthesis, allowing chemists to create more complex molecules by reacting it with other compounds.

Potential applications

Dependent on chemical structure and context
The specific applications of 2-(3-Methoxybenzoyl)hydrazinecarbothioamide will depend on its chemical structure and the context in which it is being used. This could include pharmaceuticals, agrochemicals, or other industries requiring specialized chemical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 7653-41-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,5 and 3 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 7653-41:
(6*7)+(5*6)+(4*5)+(3*3)+(2*4)+(1*1)=110
110 % 10 = 0
So 7653-41-0 is a valid CAS Registry Number.

7653-41-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-methoxybenzoyl)hydrazinecarbothioamide

1.2 Other means of identification

Product number -
Other names 1-(3-methoxy-benzoyl)-thiosemicarbazide

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:7653-41-0 SDS

7653-41-0Relevant academic research and scientific papers

Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction

Zhou, Wenjuan,Xu, Chenhao,Dong, Guanjun,Qiao, Hui,Yang, Jing,Liu, Hongmin,Ding, Lina,Sun, Kai,Zhao, Wen

, (2021/03/24)

Defective in cullin neddylation 1(DCN1) is a co-E3 ligase that is important for cullin neddylation. Dysregulation of DCN1 highly correlates with the development of various cancers. Herein, from the initial high-throughput screening, a novel hit compound 5a containing a phenyltriazole thiol core (IC50 value of 0.95 μM for DCN1-UBC12 interaction) was discovered. Further structure-based optimization leads to the development of SK-464 (IC50 value of 26 nM). We found that SK-464 not only directly bound to DCN1 in vitro, but also engaged cellular DCN1, suppressed the neddylation of cullin3, and hindered the migration and invasion of two DCN1-overexpressed squamous carcinoma cell lines (KYSE70 and H2170). These findings indicate that SK-464 may be a novel lead compound targeting DCN1-UBC12 interaction.

Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence

Zender, Michael,Klein, Tobias,Henn, Claudia,Kirsch, Benjamin,Maurer, Christine K.,Kail, Dagmar,Ritter, Christiane,Dolezal, Olan,Steinbach, Anke,Hartmann, Rolf W.

supporting information, p. 6761 - 6774 (2013/10/01)

The human pathogen Pseudomonas aeruginosa employs alkyl quinolones for cell-to-cell communication. The Pseudomonas quinolone signal (PQS) regulates various virulence factors via interaction with the transcriptional regulator PqsR. Therefore, we consider t

Synthesis of 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol derivatives exhibiting anti-inflammatory activity

Labanauskas,Udrenaite,Gaidelis,Brukstus

, p. 255 - 259 (2007/10/03)

New S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiols (5a-c, 6a-c) and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3- thiols (7a-c, 8a-c, 9a-c) were synthesized by the alkylation of 3-(2-,3- and 4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thiones (3a-c) or 3-(2-,3- and 4-methoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thiones (4a-c) with 1-iodobutane or 1-(1,3-benzodioxol-5-yl)-2-bromo-1-ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanone and 2-bromo-1-(3,4- dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanone. Compounds 3a-c and 4a-c were synthesized by the acylation of thiosemicarbazide or 4-phenyl-3- thiosemicarbazide with 2-, 3- and 4-methoxybenzoyl chlorides and further cyclization of the obtained acylderivatives 1a-c and 2a-c. The synthesized compounds 4a-c, 5a, 6a-c, 7a-c, 8a-c, 9b,c exhibit anti-inflammatory activity.

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