622-52-6

Basic information

• Product Name: 4-METHYLPHENYLTHIOUREA
• Synonyms: P-TOLYLTHIOUREA;N-(4-METHYLPHENYL)THIOUREA;1-(P-TOLYL)THIOUREA;2-THIO-1-P-TOLYLUREA;1-(4-METHYLPHENYL)-2-THIOUREA;4-METHYLPHENYLTHIOUREA;2-thio-1-p-tolyl-ure;n-p-tolylthiourea
• CAS NO: 622-52-6
• Molecular Formula: C₈H₁₀N₂S
• Molecular Weight: 166.24
• EINECS: 210-740-8
• Mol File: 622-52-6.mol
• Article Data: 72

Chemical Properties

• Melting Point: 186 °C
• Boiling Point: 282.5 °C at 760 mmHg
• Flash Point: 124.6 °C
• Appearance: /
• Density: 1.242 g/cm³
• Vapor Pressure: 0.00335mmHg at 25°C
• Refractive Index: 1.696
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: almost transparency in hot Methanol
• PKA: 13.39±0.70(Predicted)
• BRN: 2086619
• CAS DataBase Reference: 4-METHYLPHENYLTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLPHENYLTHIOUREA(622-52-6)
• EPA Substance Registry System: 4-METHYLPHENYLTHIOUREA(622-52-6)

Safety Data

• Hazard Codes: Xi
• Statements: 25
• Safety Statements: 20-36-45-60
• RIDADR: 2811
• RTECS: YU3325000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 622-52-6(Hazardous Substances Data)

Usage

General Description

4-METHYLPHENYLTHIOUREA is a chemical compound with the molecular formula C8H10N2S. It is a member of the thiourea family and is commonly used as a reagent in organic synthesis, particularly in the production of heterocyclic compounds. 4-METHYLPHENYLTHIOUREA is a white crystalline solid that is soluble in organic solvents and has a wide range of applications, including as a catalyst in chemical reactions, a precursor to pharmaceuticals, and as an intermediate in the production of dyes and pigments. It is also used in the synthesis of rubber chemicals and as a component in the production of pesticides and herbicides. Additionally, it has been studied for its potential use in anti-cancer therapy and as an anti-diabetic agent.

InChI:InChI=1/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

Upstream product

• 14327-06-1 1-tert-butyl-3-p-tolylthiourea 
• 14294-26-9 N-(p-Tolyl)-N'-(tert.-pentyl)-thioharnstoff 
• 6281-61-4 1-benzoyl-3-(4-methylphenyl)thiourea 
• 824-88-4 O-phenyl carbamothioate 
• 106-49-0 p-toluidine 
• 17356-08-0 thiourea 
• 64-17-5 ethanol 
• 13037-22-4 methyl (N-(4-methylphenyl))dithiocarbamate 
• 7664-41-7 ammonia 
• 333-20-0 potassium thioacyanate 
• 1147550-11-5 ammonium thiocyanate 
• 622-59-3 1-isothiocyanato-4-methylbenzene 
• 540-23-8 p-toluidine hydrochloride 
• 75-15-0 carbon disulfide 

Downstream Products

• 17385-68-1 2-(4-tolylamino)thiazol-4-one 
• 100061-42-5 (4-methyl-thiazol-2-yl)-p-tolyl-amine 
• 16098-04-7 2-[N-(p-methylphenylamino)]-4-phenyl-thiazole 
• 92437-64-4 1-pTolyl-5-furfuryliden-thiohydantoin 
• 21261-92-7 6-Methyl-3-butyl-benzothiazolin-2-thion 
• 65823-83-8 [2'-(4-chloro-phenyl)-[4,4']bithiazolyl-2-yl]-p-tolyl-amine 
• 65823-68-9 [4-(4-chloro-phenyl)-[2,4']bithiazolyl-2'-yl]-p-tolyl-amine 
• 31102-67-7 thiazolo[4,5-b]quinoxalin-2-yl-p-tolyl-amine 
• 31102-81-5 3-p-tolyl-3H-thiazolo[4,5-b]quinoxalin-2-ylideneamine 
• 56935-55-8 4-amino-3-p-tolyl-5-cyano-2-imino-4-thiazoline 
• 65823-64-5 (4-phenyl-[2,4']bithiazolyl-2'-yl)-p-tolyl-amine 
• 33373-96-5 4-amino-2-imino-3-p-tolyl-2,3-dihydro-thiazole-5-carboxylic acid amide 
• 23993-24-0 4-amino-3-p-tolyl-5-carbethoxy-2-imino-4-thiazoline 
• 21465-56-5 2,7-bis-(4-methyl-anilino)-1,6-dithia-3,8-diaza-spiro[4.4]nona-2,7-diene-4,9-dione 

Relevant articles and documents

Retinoic acid derivative with multiple target points and preparation method and application thereof

The invention provides a retinoic acid derivative with multiple targets and a preparation method and application thereof A series of novel multi-target retinoic acid derivatives are designed and synthesized by taking a multi-target drug theory as guidance, taking Am580 as a parent nucleus and combining structural characteristics of Am580 to select N-hydroxyguanidine NO donors as NO sources, performing chemical modification on the NO donors to obtain a series of different donors, and coupling ester or amido bonds with the parent nucleus. Experiments prove that the derivative has the characteristics of higher activity, lower toxic and side effects and better anti-tumor effect. The structural general formula of the retinoic acid derivative with multiple target points is shown as the followingformula (I),.

Design, synthesis, and antipoliferative activities of novel substituted imidazole-thione linked benzotriazole derivatives

A new series of benzotriazole moiety bearing substituted imidazol-2-thiones at N1 has been designed, synthesized and evaluated for in vitro anticancer activity against the different cancer cell lines MCF-7(breast cancer), HL-60 (Human promyelocytic leukemia), and HCT-116 (colon cancer). Most of the benzotriazole analogues exhibited promising antiproliferative activity against tested cancer cell lines. Among all the synthesized compounds, BI9 showed potent activity against the cancer cell lines such as MCF-7, HL-60 and HCT-116 with IC50 3.57, 0.40 and 2.63 μM, respectively. Compound BI9 was taken up for elaborate biological studies and the HL-60 cells in the cell cycle were arrested in G2/M phase. Compound BI9 showed remarkable inhibition of tubulin polymerization with the colchicine binding site of tubulin. In addition, compound BI9 promoted apoptosis by regulating the expression of pro-apoptotic protein BAX and anti-apoptotic proteins Bcl-2. These results provide guidance for further rational development of potent tubulin polymerization inhibitors for the treatment of cancer.

Synthesis and biological evaluation of 3-amino-1,2,4-triazole derivatives as potential anticancer compounds

Two series of compounds carrying 3-amino-1,2,4-triazole scaffold were synthesized and evaluated for their anticancer activity against a panel of cancer cell lines using XTT assay. The 1,2,4-triazole synthesis was revisited for the first series of pyridyl derivatives. The biological results revealed the efficiency of the 3-amino-1,2,4-triazole core that could not be replaced and a clear beneficial effect of a 3-bromophenylamino moiety in position 3 of the triazole for both series (compounds 2.6 and 4.6) on several cell lines tested. Moreover, our results point out an antiangiogenic activity of these compounds. Overall, the 5-aryl-3-phenylamino-1,2,4-triazole structure has promising dual anticancer activity.