1-[[3-Oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea

Base Information

• Chemical Name: 1-[[3-Oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea
• CAS No.: 17838-59-4
• Molecular Formula: C17H18 N6 O2 S2
• Molecular Weight: 402.501
• NSC Number: 89231
• DSSTox Substance ID: DTXSID40389063
• Mol file: 17838-59-4.mol

Synonyms:17838-59-4;N,N'-bis[(phenylcarbamothioyl)amino]propanediamide;1-[[3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea;NSC89231;SBB061997;DTXSID40389063;MFCD00186714;NSC-89231;AKOS005109274;MS-7281;N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)-N'-(((PHENYLAMINO)THIOXOMETHYL)AMINO)PROPANE-1,3-DIAMIDE;1,1'-MALONYLBIS(4-PHENYL-3-SEMICARBAZIDE)

Chemical Property of 1-[[3-Oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 402.09326619
• Heavy Atom Count: 27
• Complexity: 488

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CC(=O)NNC(=S)NC2=CC=CC=C2

Technology Process of 1-[[3-Oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea

There total 1 articles about 1-[[3-Oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanoyl]amino]-3-phenylthiourea 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: 92.5%

malonic acid dihydrazide (3815-86-9) + phenyl isothiocyanate (103-72-0) → 2,2'-(1,3-dioxopropane-1,3-diyl)bis(N-phenylhydrazinecarbothioamide) (17838-59-4)

Guidance literature:

In ethanol; for 8h; Reflux;

DOI:10.3390/molecules26113183

Reference yield: 91.0%

2,2'-(1,3-dioxopropane-1,3-diyl)bis(N-phenylhydrazinecarbothioamide) (17838-59-4) → 5,5'-methylenebis(4-phenyl-4H-1,2,4-triazole-3-thiol)

Guidance literature:

With sodium hydroxide; In water; for 2h; Reflux;

DOI:10.3906/kim-1212-66

Reference yield:

2,2'-(1,3-dioxopropane-1,3-diyl)bis(N-phenylhydrazinecarbothioamide) (17838-59-4) → 5,5'-methylenebis(N-phenyl-1,3,4-oxadiazol-2-amine) (70091-70-2)

Guidance literature:

With lithium perchlorate; acetic acid; In acetonitrile; at 20 ℃; Electrolysis; Green chemistry;

upstream raw materials:

malonic acid dihydrazide

phenyl isothiocyanate

Downstream raw materials:

5,5'-methylenebis(N-phenyl-1,3,4-oxadiazol-2-amine)