2-Methoxy-5-methylphenylthiourea

Base Information

• Chemical Name: 2-Methoxy-5-methylphenylthiourea
• CAS No.: 88686-29-7
• Molecular Formula: C9H12 N2 O S
• Molecular Weight: 196.273
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30352963
• Wikidata: Q82130411
• Mol file: 88686-29-7.mol

Synonyms:88686-29-7;2-METHOXY-5-METHYLPHENYLTHIOUREA;(2-methoxy-5-methylphenyl)thiourea;1-(2-methoxy-5-methylphenyl)-2-thiourea;1-(2-methoxy-5-methylphenyl)thiourea;SCHEMBL1191054;DTXSID30352963;IPKUQBKZOAIUOC-UHFFFAOYSA-N;MFCD00041174;AKOS001058166;N-(2-Methoxy-5-methylphenyl)thiourea;AS-65257;UPCMLD0ENAT0516-9948:001;CS-0132850;FT-0612803;FT-0612806;EN300-06053;E81634;Z56915916

Chemical Property of 2-Methoxy-5-methylphenylthiourea

Chemical Property:

• Vapor Pressure: 0.00031mmHg at 25°C
• Melting Point: 127-130°C
• Refractive Index: 1.658
• Boiling Point: 320.8°C at 760 mmHg
• Flash Point: 147.8°C
• PSA: 79.37000
• Density: 1.243g/cm³
• LogP: 2.43240
• Water Solubility.: Insoluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.06703418
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Methoxy-5-methylphenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)NC(=S)N
• Uses: N-(2-Methoxy-5-methylphenyl)thiourea is used as pharmaceutical intermediates.

Technology Process of 2-Methoxy-5-methylphenylthiourea

There total 3 articles about 2-Methoxy-5-methylphenylthiourea 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: 76.0%

N-(2-methoxy-5-methylphenylcarbamothioyl)benzamide → 1-(2-Methoxy-5-methylphenyl)thiourea (88686-29-7)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 2h;

Reference yield: 64.0%

potassium thioacyanate (333-20-0) + Cresidine (120-71-8) → 1-(2-Methoxy-5-methylphenyl)thiourea (88686-29-7)

Guidance literature:

With hydrogenchloride; In water; for 12h; Heating;

DOI:10.1021/jo00180a009

Reference yield:

→ 1-(2-Methoxy-5-methylphenyl)thiourea (88686-29-7)

Guidance literature:

2-Methoxy-5-methyl-anilin;

DOI:10.1021/ja01471a002

upstream raw materials:

potassium thioacyanate

Cresidine

Downstream raw materials:

2-amino-7-methyl-1,3-benzothiazol-4-ol

4-Acetoxy-7-methylbenzothiazole

4-Methoxy-7-methylbenzothiazole

4-methoxy-7-methylbenzo[d]thiazol-2-amine