1-(2-(Trifluoromethoxy)phenyl)thiourea

Base Information

• Chemical Name: 1-(2-(Trifluoromethoxy)phenyl)thiourea
• CAS No.: 175205-24-0
• Molecular Formula: C₈H₇F₃N₂OS
• Molecular Weight: 236.218
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60369741
• Wikidata: Q82157035
• Mol file: 175205-24-0.mol

Synonyms:1-(2-(Trifluoromethoxy)phenyl)thiourea;175205-24-0;[2-(trifluoromethoxy)phenyl]thiourea;Thiourea, N-[2-(trifluoromethoxy)phenyl]-;1-(2-(TRIFLUOROMETHOXY)PHENYL)-2-THIOUREA;1-[2-(trifluoromethyloxy)phenyl]thiourea;1-[2-(Trifluoromethoxy)phenyl]2-thiourea;1-[2-(trifluoromethoxy)phenyl]thiourea;LV4;Maybridge4_003549;SCHEMBL5521725;DTXSID60369741;HMS1531B07;(2-Trifluoromethoxy-phenyl)-thiourea;MFCD00052991;STL573218;AKOS005202737;MS-9505;CS-0083340;EN300-114998;O10246;A881608;BRD-K27386986-001-01-3;Z291279160

Chemical Property of 1-(2-(Trifluoromethoxy)phenyl)thiourea

Chemical Property:

• Melting Point: 148-152°C
• PSA: 79.37000
• LogP: 3.01400
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 236.02311851
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

1-(2-(Trifluoromethoxy)phenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-(Trifluoromethoxy)phenyl)thiourea

There total 3 articles about 1-(2-(Trifluoromethoxy)phenyl)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: 68.0%

2-trifluoromethoxy aniline (1535-75-7) + ammonium thiocyanate (1147550-11-5) → N-<2-(trifluoromethoxy)phenyl>thiourea (175205-24-0)

Guidance literature:

With hydrogenchloride; sodium hydrogensulfite; at 90 ℃; for 14h;

DOI:10.1021/jm980202u

Reference yield:

1-isothiocyanato-2-trifluoromethoxybenzene (175205-33-1) → N-<2-(trifluoromethoxy)phenyl>thiourea (175205-24-0)

Guidance literature:

Reference yield:

2-(trifluoromethyl)benzenamine (88-17-5) → N-<2-(trifluoromethoxy)phenyl>thiourea (175205-24-0)

Guidance literature:

upstream raw materials:

2-trifluoromethoxy aniline

ammonium thiocyanate

2-(trifluoromethyl)benzenamine

1-isothiocyanato-2-trifluoromethoxybenzene

Downstream raw materials:

SKA-35