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(5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one is a heterocyclic organic compound characterized by a molecular formula of C11H11NOS. It features a five-membered ring that incorporates both sulfur and nitrogen atoms, which may contribute to its potential applications in various fields.

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  • 583-46-0 Structure
  • Basic information

    1. Product Name: (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one
    2. Synonyms: (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one;2-Thioxo-4-benzylideneimidazolidine-5-one;5-Benzal-2-thlohydantoin;5-Benzylidene-2-thioxo-4-imidazolidinone;5-Benzylidene-2-thioxoimidazolidin-4-one
    3. CAS NO:583-46-0
    4. Molecular Formula: C10H8N2OS
    5. Molecular Weight: 204.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 583-46-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: 1.37g/cm3
    6. Refractive Index: 1.702
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one(583-46-0)
    11. EPA Substance Registry System: (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one(583-46-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 583-46-0(Hazardous Substances Data)

583-46-0 Usage

Uses

Used in Pharmaceutical Industry:
(5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one is used as a chemical compound for its potential pharmaceutical applications. Its unique structure and possible biological activities make it a candidate for further research and development in the creation of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one is used as a chemical compound for its potential to be developed into new agrochemical products. Its specific properties may be harnessed for applications such as pesticides or fertilizers, contributing to agricultural productivity and crop protection.
Safety and Handling:
It is important to handle (5E)-5-benzylidene-2-sulfanylidene-imidazolidin-4-one with care, as it may have specific safety and handling guidelines. Due to its potential reactivity and toxicity, proper precautions should be taken to ensure the safety of those working with this compound in both research and industrial settings.

Check Digit Verification of cas no

The CAS Registry Mumber 583-46-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 3 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 583-46:
(5*5)+(4*8)+(3*3)+(2*4)+(1*6)=80
80 % 10 = 0
So 583-46-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+

583-46-0SDS

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 5-benzylidene-2-sulfanylideneimidazolidin-4-one

1.2 Other means of identification

Product number -
Other names 5-benzal-2-thiohydantoin

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:583-46-0 SDS

583-46-0Relevant articles and documents

Bioisosteric modification of known fucosidase inhibitors to discover a novel inhibitor of α-l-fucosidase

Bathula, Chandramohan,Ghosh, Shreemoyee,Hati, Santanu,Tripathy, Sayantan,Singh, Shailja,Chakrabarti, Saikat,Sen, Subhabrata

, p. 3563 - 3572 (2017/01/25)

Bioisosteric modification of known fucosidase inhibitors A and B, resulted in three new types of molecules, 4b, 5c and 6a (belonging to furopyridinedione, thiohydantoin and hydantoin chemotypes) that could potentially bind to α-l-fucosidase (bovine kidney

Systematic Evaluation of the Metabolism and Toxicity of Thiazolidinone and Imidazolidinone Heterocycles

Tang, Shi Qing,Lee, Yong Yang Irvin,Packiaraj, David Sheela,Ho, Han Kiat,Chai, Christina Li Lin

, p. 2019 - 2033 (2015/11/02)

The thiazolidine and imidazolidine heterocyclic scaffolds, i.e., the rhodanines, 2,4-thiazolidinediones, 2-thiohydantoins, and hydantoins have been the subject of debate on their suitability as starting points in drug discovery. This attention arose from the wide variety of biological activities exhibited by these scaffolds and their frequent occurrence as hits in screening campaigns. Studies have been conducted to evaluate their value in drug discovery in terms of their biological activity, chemical reactivity, aggregation-based promiscuity, and electronic properties. However, the metabolic profiles and toxicities have not been systematically assessed. In this study, a series of five-membered multiheterocyclic (FMMH) compounds were selected for a systematic evaluation of their metabolic profiles and toxicities on TAMH cells, a metabolically competent rodent liver cell line and HepG2 cells, a model of human hepatocytes. Our studies showed that generally the rhodanines are the most toxic, followed by the thiazolidinediones, thiohydantoins, and hydantoins. However, not all compounds within the family of heterocycles were toxic. In terms of metabolic stability, 5-substituted rhodanines and 5-benzylidene thiohydantoins were found to have short half-lives in the presence of human liver microsomes (t1/2 30 min) suggesting that the presence of the endocyclic sulfur and thiocarbonyl group or a combination of C5 benzylidene substituent and thiocarbonyl group in these heterocycles could be recognition motifs for P450 metabolism. However, the stability of these compounds could be improved by installing hydrophilic functional groups. Therefore, the toxicities and metabolic profiles of FMMH derivatives will ultimately depend on the overall chemical entity, and a blanket statement on the effect of the FMMH scaffold on toxicity or metabolic stability cannot and should not be made.

Design and Synthesis of Novel Phenylpiperazine Derivatives as Potential Anticonvulsant Agents

Habib, Monica M. W.,Abdelfattah, Mohamed A. O.,Abadi, Ashraf H.

, p. 868 - 874 (2015/12/24)

Eighteen new 5-benzylidene-3-(4-arylpiperazin-1-ylmethyl)-2-thioxo-imidazolidin-4-ones were designed as hybrid structures from previously reported anticonvulsant compounds, synthesized and tested for anticonvulsant activity. Initial anticonvulsant screeni

(S)-5-Benzyl- and 5-benzylidene-imidazo-4-one derivatives synthesized and studied for an understanding of their thermal reactivity

Pepino,Pelez,Faillace,Ceballos,Moyano,Argüello

, p. 60092 - 60101 (2015/02/19)

Flash vacuum as well as static pyrolysis were used to gain insight into the mechanisms of decomposition of the title compounds. They were synthesized by the use of microwave techniques that allowed better yields than the established methods. Since the benzyl compounds always open a radical channel in the thermal processes, consequently lowering the yields of other important intramolecular processes, we also started the pyrolysis with benzylidene derivatives. Detection and quantification of products accompanied by kinetic analyses were carried out for both types of compounds. The activation energies as well as the entropy contributions have been determined. Moreover, DFT calculations provided support for and corroborating of the proposed thermal pathways.

SYNTHESIS OF IMIDAZOLE-2-THIONES VIA THIOHYDANTOINS

-

Page/Page column 33, (2010/11/26)

The present invention provides a method of making an imidazole 2-thione which comprises the step(s) of reducing a thiohydantoin to said imidazole- 2-thione.

Facile synthesis of 2-alkylthio-3-alkyl-5-phenylmethylidene-4H-imidazol-4- ones

Sun, Yong,Gao, Li-Ping,Ding, Ming-Wu

, p. 1185 - 1191 (2007/10/03)

2-Alkylthio-3-alkyl-5-phenylmethylidene-4H-imidazol-4-ones 6 were synthesized by N-alkylation and S-alkylation of 2-thioxo-5-phenylmethylidene-4- imidazolidinone 5, which was obtained via cyclization of vinyl isothiocyanate 4 with excess ammonium hydroxid

Glycine derivatives of imidazolones as potential ligands of glycine binding site of NMDA receptors. Part 1

Kiec-Kononowicz, Katarzyna,Karolak-Wojciechowska, Janina,Handzlik, Jadwiga

, p. 381 - 388 (2007/10/03)

The series of glycine derivatives of diphenyl or (un)substituted arylidene imidazolones was designed and obtained as potential ligands of the glycine binding site of NMDA receptors. The compounds were evaluated in vitro for their affinity to the glycine b

Thiazole derivatives

-

, (2008/06/13)

New thiazole derivatives of the general formula I STR1 and their salts with physiologically acceptable acids are described as well as a process for their manufacture. The new compounds exhibit histamine H-2 antagonist activity and may thus be used to inhi

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