212607-69-7

Basic information

• Product Name: N-(4-nitrophenyl)-N’-(ethoxycarbonyl)thiocarbamide
• Synonyms: N-(4-nitrophenyl)-N’-(ethoxycarbonyl)thiocarbamide
• CAS NO: 212607-69-7
• Molecular Weight: 269.281
• Mol File: 212607-69-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: N-(4-nitrophenyl)-N’-(ethoxycarbonyl)thiocarbamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-nitrophenyl)-N’-(ethoxycarbonyl)thiocarbamide(212607-69-7)
• EPA Substance Registry System: N-(4-nitrophenyl)-N’-(ethoxycarbonyl)thiocarbamide(212607-69-7)

Safety Data

• Hazardous Substances Data: 212607-69-7(Hazardous Substances Data)

Upstream product

• 100-01-6 4-nitro-aniline 
• 16182-04-0 Ethoxycarbonyl isothiocyanate 
• 64-17-5 ethanol 

Relevant articles and documents

Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N′-Alkoxycarbonyl thiocarbamide derivatives

Four new compounds N-(4-nitrophenyl)-N’-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N’-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N’-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N’-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV–Visible, 1H and 13C NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N–H?O[dbnd]C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C[dbnd]O and C[dbnd]S group. The intermolecular contacts (C–H?S, C–H?O and N–H?S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested.