Thiambutosine

Base Information

• Chemical Name: Thiambutosine
• CAS No.: 500-89-0
• Molecular Formula: C19H25 N3 O S
• Molecular Weight: 343.493
• Hs Code.: 2930909090
• European Community (EC) Number: 207-914-0
• NSC Number: 682
• UNII: X92J960C7P
• DSSTox Substance ID: DTXSID20198175
• Nikkaji Number: J2.057E
• Wikidata: Q15725413
• NCI Thesaurus Code: C72860
• Pharos Ligand ID: 6KC8XADHVKDG
• ChEMBL ID: CHEMBL2107052
• Mol file: 500-89-0.mol

Synonyms:4-butoxy-4'-(dimethylamino)thiocarbanilide;Ciba 1906;Ciba-1906;SU 1906;SU-1906;thiambutosine

Chemical Property of Thiambutosine

Chemical Property:

• Vapor Pressure: 2.48E-09mmHg at 25°C
• Melting Point: 119-121 °C
• Boiling Point: 478.9°Cat760mmHg
• PKA: 12.96±0.70(Predicted)
• Flash Point: 243.4°C
• PSA: 68.62000
• Density: 1.187g/cm³
• LogP: 4.88640
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 343.17183360
• Heavy Atom Count: 24
• Complexity: 362

Purity/Quality:

98%min ^*data from raw suppliers

Thiambutosin >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N(C)C

Technology Process of Thiambutosine

There total 3 articles about Thiambutosine 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:

4-amino-N,N-dimethylaniline (99-98-9) + 1-butoxy-4-isothiocyanato-benzene (3460-50-2) → N-(4-butoxy-phenyl)-N'-(4-dimethylamino-phenyl)-thiourea (500-89-0)

Guidance literature:

Reference yield:

para-butoxyaniline (4344-55-2) → N-(4-butoxy-phenyl)-N'-(4-dimethylamino-phenyl)-thiourea (500-89-0)

Guidance literature:

Reference yield:

→ N-(4-butoxy-phenyl)-N'-(4-dimethylamino-phenyl)-thiourea (500-89-0)

Guidance literature:

4-Butoxy-phenylisothiocyanat, 4-Dimethylamino-anilin;

upstream raw materials:

4-amino-N,N-dimethylaniline

1-butoxy-4-isothiocyanato-benzene

para-butoxyaniline

Refernces