2,2-Diphenyl-1-hydrazinecarbothioamide

Base Information

• Chemical Name: 2,2-Diphenyl-1-hydrazinecarbothioamide
• CAS No.: 13207-45-9
• Molecular Formula: C₁₃H₁₃N₃S
• Molecular Weight: 243.332
• DSSTox Substance ID: DTXSID20394837
• Wikidata: Q82194480
• Mol file: 13207-45-9.mol

Synonyms:13207-45-9;2,2-diphenyl-1-hydrazinecarbothioamide;(N-phenylanilino)thiourea;2,2-Diphenylhydrazinecarbothioamide;(diphenylamino)thiourea;Diphenylthiosemicarbazid;SCHEMBL3797066;DTXSID20394837;AKOS005086078;2P-053;A881498

Chemical Property of 2,2-Diphenyl-1-hydrazinecarbothioamide

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.08301860
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Diphenyl-1-hydrazinecarbothioamide

There total 5 articles about 2,2-Diphenyl-1-hydrazinecarbothioamide 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: 58.0%

[1,2,4]triazol-1-carbothioic acid N',N'-diphenyl-hydrazide (16078-84-5) → 1,1-diphenyl-thiosemicarbazide (13207-45-9)

Guidance literature:

With ammonia; In ethanol; Ambient temperature;

Reference yield:

N,N-diphenylhydrazine hydrochloride (530-47-2,29666-92-0) → 1,1-diphenyl-thiosemicarbazide (13207-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / 1.) Et₃N / diethyl ether; CH₂Cl₂ / 0.33 h / Heating

2: 58 percent / NH₃ / ethanol / Ambient temperature

With ammonia; triethylamine; In diethyl ether; ethanol; dichloromethane;

Reference yield:

→ 1,1-diphenyl-thiosemicarbazide (13207-45-9)

Guidance literature:

With ammonium sulfide;

upstream raw materials:

N,N-diphenylhydrazine hydrochloride

ammonium thiocyanate

1,1-Diphenylhydrazine

[1,2,4]triazol-1-carbothioic acid N',N'-diphenyl-hydrazide

Downstream raw materials:

2,2'-bis-(N',N'-diphenyl-hydrazino)-5,5'-dimethyl-[4,4']bithiazolyl

thiazolidin-2-one diphenylhydrazone