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4,4'-DIMETHYLTHIOCARBANILIDE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 621-01-2 Structure
  • Basic information

    1. Product Name: 4,4'-DIMETHYLTHIOCARBANILIDE
    2. Synonyms: 4,4’-dimethylthio-carbanilid;usafek-3114;RARECHEM AQ A4 0039;N,N'-DI (P-TOLYL)-2-THIOUREA;N,N'-DI-P-TOLYLTHIOUREA;DI-P-TOLYLTHIOUREA;4,4'-DIMETHYLTHIOCARBANILIDE;1,3-DI(P-TOLYL)THIOUREA
    3. CAS NO:621-01-2
    4. Molecular Formula: C15H16N2S
    5. Molecular Weight: 256.37
    6. EINECS: 210-665-0
    7. Product Categories: N/A
    8. Mol File: 621-01-2.mol
  • Chemical Properties

    1. Melting Point: 182-184 °C(lit.)
    2. Boiling Point: 377.7°C at 760 mmHg
    3. Flash Point: 182.2°C
    4. Appearance: /
    5. Density: 1.219g/cm3
    6. Vapor Pressure: 6.63E-06mmHg at 25°C
    7. Refractive Index: 1.707
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 12.34±0.70(Predicted)
    11. CAS DataBase Reference: 4,4'-DIMETHYLTHIOCARBANILIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4,4'-DIMETHYLTHIOCARBANILIDE(621-01-2)
    13. EPA Substance Registry System: 4,4'-DIMETHYLTHIOCARBANILIDE(621-01-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS: FE0875000
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 621-01-2(Hazardous Substances Data)

621-01-2 Usage

Uses

1,3-Di-p-tolyl-2-thiourea may be used in chemical synthesis studies.

Check Digit Verification of cas no

The CAS Registry Mumber 621-01-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 1 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 621-01:
(5*6)+(4*2)+(3*1)+(2*0)+(1*1)=42
42 % 10 = 2
So 621-01-2 is a valid CAS Registry Number.
InChI:InChI=1/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)

621-01-2 Well-known Company Product Price

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  • TCI America

  • (D0803)  1,3-Di(p-tolyl)thiourea  >98.0%(HPLC)

  • 621-01-2

  • 5g

  • 495.00CNY

  • Detail
  • TCI America

  • (D0803)  1,3-Di(p-tolyl)thiourea  >98.0%(HPLC)

  • 621-01-2

  • 25g

  • 1,590.00CNY

  • Detail
  • Aldrich

  • (131091)  1,3-Di-p-tolyl-2-thiourea  97%

  • 621-01-2

  • 131091-5G

  • 764.01CNY

  • Detail

621-01-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4'-DIMETHYLTHIOCARBANILIDE

1.2 Other means of identification

Product number -
Other names 4,4'-Dimethylthiocarbanilide

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:621-01-2 SDS

621-01-2Relevant articles and documents

Synthesis and characterization of the novel pyrimidine’s derivatives, as a promising tool for antimicrobial agent and in-vitro cytotoxicity

Abd-Elaziz, Arwa M.,Aly, Hala M.,Fouad, Sawsan A.,Fouda, Amr,Ismail, Abla A.,Saleh, Nashwa M.

, (2021/11/22)

Herein, the biological activities including antibacterial, antifungal, and?in-vitro cytotoxicity for some novel substituted pyrazolo[3,4-d]pyrimidinone, benzylidene dihydropyrimidine, pyrano[2,3-d]pyrimidine, hexahydropyrimido[4, 5-d]pyrimidinone, tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile, and pyrido[2, 3-d:6,5-d'] dipyrimidinone derivatives were investigated. The synthesized novel compounds were achieved through the incorporation of the active moieties such as halo compound, pyrazolo, pyrano, pyrimido, pyrido-derivatives with active methylene group in thiobarbituric acid derivatives at C-5. Structures of all synthesized compounds were characterized by spectral techniques including IR, 1H-NMR, MS, and 13C-NMR. All synthesized compounds were screened for their antibacterial and antifungal activity, while the most promising compounds were selected to investigate their in-vitro cytotoxic efficacy against normal Vero cells and cancerous Caco-2 cells. Data showed that the biological activities were concentration-dependent. All novel pyrimidine derivatives exhibited broad-spectrum antimicrobial activity with a varied zone of inhibition ranging between 11.3 ± 0.6 and 25.3 ± 0.6?mm. The MIC values are different according to a pathogenic organism (ranging between 3.91 and 500?μg?mL?1), whereas the MBC/MFC were 2 × to 4 × MIC value. Data of in-vitro cytotoxicity confirm the efficiency of selected novel pyrimidine derivatives to target Caco-2 cancerous cells at low concentrations more Vero normal cells. Four selected compounds 4, 7b, 10, and 12 displayed IC50 values of 286.73 ± 4.54, 138.07 ± 8.21, 332.48 ± 18.75, and 241.18 ± 15.60?μg?mL?1, respectively, for normal Vero cell line, whereas it was 271.55 ± 3.68, 65.94 ± 2.36, 121.16 ± 4.96, and 82.28 ± 4.08?μg?mL?1, respectively, for Caco-2 cancerous cell line.

Di-tert-butyl peroxide (DTBP)-mediated synthesis of symmetrical N,N′-disubstituted urea/thiourea motifs from isothiocyanates in water

Chen, Ling,Dong, Yibo,Wu, Yangjie,Yang, Jinchen,Zhang, Jinli

supporting information, (2021/12/01)

ABATRACT: A direct approach to N,N′-disubstituted urea/thiourea from the self-condensation reactions of isothiocyanates in water has been developed. This access tolerated a wide range of functional groups on the aromatic ring, providing a practical and environment-friendly process to N,N′-disubstituted urea/thiourea in moderate to excellent yields from safe and easily available starting materials. A plausible mechanism of the desulfurization self-condensation reaction for urea was also proposed and the role of di-tert-butyl peroxide (DTBP) and copper catalyst in the present strategy was demonstrated with the help of ESI mass spectrometry of intermediate studies.

Synthesis, characterization, and pharmacological evaluation of thiourea derivatives

Alghamdi, Saad,Naz, Sumaira,Sahibzada, Muhammad Umar Khayam,Ulbari, Wasim,Umar, Muhammad Naveed,Zahoor, Muhammad

, p. 764 - 777 (2020/07/20)

Thioureas and their derivatives are organosulfur compounds having applications in numerous fields such as organic synthesis and pharmaceutical industries. Symmetric thiourea derivatives were synthesized by the reaction of various anilines with CS2. The synthesized compounds were characterized using the UV-visible and nuclear magnetic resonance (NMR) spectroscopic techniques. The compounds were screened for in vitro inhibition of α-amylase, α-glucosidase, acetylcholinesterase (AChE), and butyrylcholinesterase (BuChE) enzymes and for their antibacterial and antioxidant potentials. These compounds were fed to Swiss male albino mice to evaluate their toxicological effects and potential to inhibit glucose-6-phosphatase (G6Pase) inhibition. The antibacterial studies revealed that compound 4 was more active against the selected bacterial strains. Compound 1 was more active against 2,2-diphenyl-1-picrylhydrazyl and 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) free radicals, AChE, BuChE, and α-glucosidase. Compound 2 was more potent against α-amylase and G6Pase. Toxicity studies showed that compound 4 is safe as it exerted no toxic effect on any of the hematological and biochemical parameters or on liver histology of the experimental animals at any studied dose rate. The synthesized compounds showed promising antibacterial and antioxidant potential and were very active (both in vitro and in vivo) against G6Pase and moderately active against the other selected enzymes used in this study.

Synthesis and Anticancer Activity of Novel Urea and Thiourea Bearing Thiophene-2-carboxalate Derivatives

Bodige, S.,Chandra, J. N. Narendra Sharath,Cherukumalli, P. Koteswara Rao,Endoori, S.,Gulipalli, K. Ch.,Ravula, P.,Seelam, N.

, p. 1336 - 1344 (2020/08/14)

Abstract: A new series of urea and thiourea bearing thiophene-2-carboxalate derivatives has been designed against protein tyrosine phosphatase 1B (PTP1B) active site, synthesized and charecterized by 1H and 13C NMR, and mass spectra. The compounds have been evaluated for in vitro anticancer activity against different cancer cell lines using the MTT colorimetric assay and doxorubicin as a standard drug. Among the tested compounds, methyl 3-methoxy-4-{4-[3-(4-methoxyphenyl)thioureido]phenyl}thiophene-2-carboxylate demonstrates the highest inhibitory activity against MCF-7, K562, HepG2, MDA-MB-231, and HeLa cell lines. The new molecular structures and their interactions with PNP1B have been evaluated by docking studies.

Photocatalyst-Free Visible-Light-Promoted C(sp2)-S Coupling: A Strategy for the Preparation of S-Aryl Dithiocarbamates

Li, Guoqing,Yan, Qiuli,Gan, Ziyu,Li, Qin,Dou, Xiaomeng,Yang, Daoshan

supporting information, p. 7938 - 7942 (2019/10/19)

We have successfully developed a green and efficient multicomponent reaction protocol to synthesize S-aryl dithiocarbamates under visible light. Most appealingly, the reaction can proceed smoothly without adding any transition-metal catalysts, ligands, or photocatalysts while minimizing chemical wastes and metal residues in the end products. The advantages of this method meet the requirements of sustainable and green synthetic chemistry, and it provides a straightforward way to create valuable S-aryl dithiocarbamates.

DMSO-mediated palladium-catalyzed cyclization of two isothiocyanates: Via C-H sulfurization: A new route to 2-aminobenzothiazoles

Yao, Guangkai,Wang, Bing-Feng,Yang, Shuai,Zhang, Zhi-Xiang,Xu, Han-Hong,Tang, Ri-Yuan

, p. 3403 - 3406 (2019/02/10)

DMSO was found to activate arylisothiocyanates for self-nucleophilic addition. A subsequent intramolecular C-H sulfurization catalyzed by PdBr2 enables access to a wide range of 2-aminobenzothiazole derivatives in moderate to good yields. This is the first example of a DMSO-mediated Pd-catalyzed synthesis of 2-aminobenzothiazoles through cyclization/C-H sulfurization of two isothiocyanates.

Novel non-peptidic small molecule inhibitors of secreted aspartic protease 2 (SAP2) for the treatment of resistant fungal infections

Dong, Guoqiang,Liu, Yang,Wu, Ying,Tu, Jie,Chen, Shuqiang,Liu, Na,Sheng, Chunquan

supporting information, p. 13535 - 13538 (2019/01/05)

Targeting secreted aspartic protease 2 (SAP2), a kind of virulence factor, represents a new strategy for antifungal drug discovery. In this report, the first-generation of small molecule SAP2 inhibitors was rationally designed and optimized using a structure-based approach. In particular, inhibitor 23h was highly potent and selective and showed good antifungal potency for the treatment of resistant Candida albicans infections.

A facile method for the preparation of carbodiimides from thioureas and (Boc)2O

Wu, He,Sun, Yan-Fang,Zhang, Chen,Miao, Chun-Bao,Yang, Hai-Tao

supporting information, p. 739 - 742 (2018/01/27)

A concise method for the preparation of carbodiimides from thioureas using di-tert-butyl dicarbonate [(Boc)2O] as the dehydrosulfurizative reagent has been developed. Using DMAP as the catalyst, a variety of symmetric and asymmetric 1,3-diaryl thioureas were converted into the corresponding carbodiimides efficiently in a short time.

RE[N(SiMe3)2]3-Catalyzed Guanylation/Cyclization of Amino Acid Esters and Carbodiimides

Lu, Chengrong,Gong, Chao,Zhao, Bei,Hu, Lijuan,Yao, Yingming

, p. 1154 - 1159 (2018/02/10)

The example of rare-earth metal-catalyzed guanylation/cyclization of amino acid esters and carbodiimides is well-established, forming 4(3H)-2-alkylaminoquinazolinones in 65-96% yields. The rare-earth metal amides RE[N(TMS)2]3 (RE = Y, Yb, Nd, Sm, La; TMS = SiMe3) showed high activities, and La[N(TMS)2]3 performed best for a wide scope of the substrates.

Exploiting the Thiobarbituric Acid Scaffold for Antibacterial Activity

Sharma, Anamika,Noki, Sikabwe,Zamisa, Sizwe J.,Hazzah, Heba A.,Almarhoon, Zainab M.,El-Faham, Ayman,de la Torre, Beatriz G.,Albericio, Fernando

, p. 1923 - 1930 (2018/09/14)

Thiobarbituric acid (TBA) has been considered a privileged structure for developing antimicrobial agents. Diversity was obtained at positions N and at C5 through acylation, Schiff base formation, Knoevenagel condensation, and thioamide and enamine formation. The present work describes the synthesis of small libraries based on the TBA moiety and above-mentioned reactions. Preliminary antimicrobial activity screening of the prepared compounds against selected bacteria (both Gram-positive and -negative) showed the best results for the Boc-Phe-TBA derivative. These results could be useful for designing and building libraries based on other amino acids with distinct protecting groups.

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