N-(4-Nitrophenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(4-Nitrophenyl)hydrazinecarbothioamide
• CAS No.: 38985-70-5
• Molecular Formula: C7H8 N4 O2 S
• Molecular Weight: 212.232
• Hs Code.: 2930909090
• European Community (EC) Number: 673-703-9
• ChEMBL ID: CHEMBL3286604
• DSSTox Substance ID: DTXSID30409123
• Wikidata: Q82214824
• Mol file: 38985-70-5.mol

Synonyms:38985-70-5;4-(4-Nitrophenyl)-3-thiosemicarbazide;N-(4-Nitrophenyl)hydrazinecarbothioamide;1-amino-3-(4-nitrophenyl)thiourea;CHEMBL3286604;3-amino-1-(4-nitrophenyl)thiourea;SCHEMBL458335;DTXSID30409123;4-(4-nitrophenyl) thiosemicarbazide;BDBM50019773;MFCD00041297;AKOS015833417;SB86310;Thiosemicarbazide, 4-(4-nitrophenyl)-;N-(4-Nitrophenyl)hydrazinecarbothioamide #;CS-0452036;FT-0639508;A824364;4-(4-nitrophenyl)-3-thiosemicarbazide, AldrichCPR

Chemical Property of N-(4-Nitrophenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 4.77E-06mmHg at 25°C
• Melting Point: 184-185°C
• Refractive Index: 1.759
• Boiling Point: 382.3°Cat760mmHg
• PKA: 9.89±0.70(Predicted)
• Flash Point: 185°C
• PSA: 127.99000
• Density: 1.535g/cm³
• LogP: 2.44230
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.03679668
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Nitrophenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)NN)[N+](=O)[O-]

Technology Process of N-(4-Nitrophenyl)hydrazinecarbothioamide

There total 6 articles about N-(4-Nitrophenyl)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: 99.0%

p-nitrophenyl isothiocyanate (2131-61-5) → 4-(4-nitrophenyl)-3-thiosemicarbazide (38985-70-5)

Guidance literature:

With hydrazine-hydroquinone complex; at 25 - 30 ℃; for 1h; neat, solid state, in ball mill;

DOI:10.1002/1099-1395(200007)13:7<388::AID-POC278>3.0.CO;2-H

Reference yield: 92.8%

p-nitrophenyl isothiocyanate (2131-61-5) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → 4-(4-nitrophenyl)-3-thiosemicarbazide (38985-70-5)

Guidance literature:

In methanol; water; at 20 ℃;

Reference yield: 73.0%

carbon disulfide (75-15-0,12122-00-8) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-(4-nitrophenyl)-3-thiosemicarbazide (38985-70-5)

Guidance literature:

carbon disulfide; 4-nitro-aniline; With ammonium hydroxide; In ethanol; cooling;

With hydrazine hydrate; In ethanol; water;

upstream raw materials:

p-nitrophenyl isothiocyanate

carbon disulfide

4-nitro-aniline

-essigsaeure

Downstream raw materials:

benzaldehyde-[4-(4-nitro-phenyl)-thiosemicarbazone]

4-(4-Nitrophenyl)-4H-1,2,4-triazole-3-thiol

3-(Methylthio)-4-(4-nitrophenyl)-4H-1,2,4-triazole

N-(4-nitrophenyl)-5-phenyl-1,3,4-oxadiazole-2-amine