(2,5-Dimethoxyphenyl)thiourea

Base Information

• Chemical Name: (2,5-Dimethoxyphenyl)thiourea
• CAS No.: 67617-98-5
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.272
• Hs Code.: 2930909090
• European Community (EC) Number: 674-266-7
• DSSTox Substance ID: DTXSID50374344
• Wikidata: Q82162895
• Mol file: 67617-98-5.mol

Synonyms:67617-98-5;(2,5-dimethoxyphenyl)thiourea;1-(2,5-Dimethoxyphenyl)-2-thiourea;2,5-dimethoxyphenylthiourea;1-(2,5-dimethoxyphenyl)thiourea;MFCD00022163;2,5-dimethoxy phenyl thiourea;SCHEMBL4141161;n-(2,5-dimethoxyphenyl)thiourea;DTXSID50374344;ZLGQKHQZDDTIFW-UHFFFAOYSA-N;Thiourea,N-(2,5-dimethoxyphenyl)-;STK374494;AKOS005447498;AS-75926;CS-0257210;FT-0610410;FT-0610411;EN300-66535;D85872;A835829

Chemical Property of (2,5-Dimethoxyphenyl)thiourea

Chemical Property:

• Vapor Pressure: 4.54E-05mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.645
• Boiling Point: 350 °C at 760 mmHg
• PKA: 12.94±0.70(Predicted)
• Flash Point: 165.4 °C
• PSA: 88.60000
• Density: 1.282 g/cm³
• LogP: 2.13260
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

1-(2,5-dimethoxyphenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:Toxic if swallowed.
• Hazard Codes: R25:Toxic if swallowed.
• Statements: 25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)NC(=S)N

Technology Process of (2,5-Dimethoxyphenyl)thiourea

There total 8 articles about (2,5-Dimethoxyphenyl)thiourea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(2,5-dimethoxyphenyl)-N'-benzoylthiocarbamide (67617-97-4) → (2,5-dimethoxyphenyl)thiourea (67617-98-5)

Guidance literature:

With water; sodium hydroxide; at 100 ℃; for 1h; Reflux;

DOI:10.1016/j.bmcl.2011.06.076

Reference yield:

2-isothiocyanato-1,4-dimethoxybenzene (40532-06-7) → (2,5-dimethoxyphenyl)thiourea (67617-98-5)

Guidance literature:

With ethanol; ammonia;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2,5-dimethoxyaniline (102-56-7,102526-87-4) → (2,5-dimethoxyphenyl)thiourea (67617-98-5)

Guidance literature:

With ammonium hydroxide;

DOI:10.1016/j.bmcl.2019.126726

upstream raw materials:

2-isothiocyanato-1,4-dimethoxybenzene

ammonium thiocyanate

2,5-dimethoxyaniline

2,5-Dimethoxybenzylamin*HCl

Downstream raw materials:

C₂₂H₁₉ClN₄O₃S₂

C₁₅H₁₆N₄O₂S₂

N-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)thiazol-2-amine

C₁₇H₁₇FN₂O₄S₂

Refernces

• 1、 Xu, Hang,Su, Xin,Liu, Xiao-qian,Zhang, Kai-peng,Hou, Zhuang,Guo, Chun. "Design, synthesis and biological evaluation of novel semicarbazone-selenochroman-4-ones hybrids as potent antifungal agents". supporting information. . Retrieved 2019/10/19.
• 2、 Varshney, Kanika,Gupta, Swati,Rahuja, Neha,Rawat, Arun K.,Singh, Nagendra,Tamarkar, Akhilesh K.,Srivastava, Arvind K.,Saxena, Anil K.. "Synthesis, Structure-Activity Relationship and Docking Studies of Substituted Aryl Thiazolyl Phenylsulfonamides as Potential Protein Tyrosine Phosphatase1B Inhibitors". . p. 1185 - 1190. Retrieved 2012/08/29.