6610-31-7

Basic information

• Product Name: 4-BUTYL-3-THIOSEMICARBAZIDE
• Synonyms: 4-BUTYL-3-THIOSEMICARBAZIDE;4-BUTYL THIOSEMICARBAZIDE;N-butylhydrazinecarbothioamide;4-(But-1-yl)thiosemicarbazide;N-(But-1-yl)hydrazinecarbothioamide, 1-Amino-3-(but-1-yl)thiourea
• CAS NO: 6610-31-7
• Molecular Formula: C₅H₁₃N₃S
• Molecular Weight: 147.24
• Mol File: 6610-31-7.mol
• Article Data: 27

Chemical Properties

• Melting Point: 74°C
• Boiling Point: 225.5 °C at 760 mmHg
• Flash Point: 90.2 °C
• Appearance: /
• Density: 1.071 g/cm³
• Vapor Pressure: 0.086mmHg at 25°C
• Refractive Index: 1.541
• PKA: 10.76±0.70(Predicted)
• CAS DataBase Reference: 4-BUTYL-3-THIOSEMICARBAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BUTYL-3-THIOSEMICARBAZIDE(6610-31-7)
• EPA Substance Registry System: 4-BUTYL-3-THIOSEMICARBAZIDE(6610-31-7)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 6610-31-7(Hazardous Substances Data)

Usage

General Description

4-Butyl-3-thiosemicarbazide is a chemical compound recognized by its systematic name, Butyl(azanylidenemethylidene)hydrazine-1-carbothioamide. Its molecular formula is C7H15N3S and molecular weight is 175.28 g/mol. This chemical falls under the category of thiosemicarbazides and is used in various chemical reactions and processes due to its reactive nature. Like many similar compounds, it requires careful handling and storage under appropriate conditions. The specific properties and uses of 4-Butyl-3-thiosemicarbazide can vary greatly depending on the context of its application in scientific or industrial scenarios.

InChI:InChI=1/C5H13N3S/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9)

Upstream product

• 592-82-5 butyl isothiocyanate 
• 64573-65-5 butyl-thiocarbamic acid 
• 60448-30-8 N-butylthioformamide 
• 628-30-8 n-Propyl isothiocyanate 
• 75-15-0 carbon disulfide 
• 109-73-9 N-butylamine 
• 56134-96-4 ethyl butyldithiocarbamate 

Downstream Products

• 51984-12-4 (E)-4-butyl-1-(pyridin-2-ylmethylene)thiosemicarbazide 
• 210487-35-7 C₁₃H₁₅BrN₄OS 
• 820246-84-2 C₂₁H₂₃N₅OS 
• 25976-45-8 4-(5-butylamino-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide 
• 1282613-27-7 5-(4-(Allyloxy)-phenyl)-N-butyl-1,3,4-thiadiazol-2-amine 
• 1220709-01-2 methyl 4-(5-(N-butyl-2-fluorobenzamido)-1,3,4-thiadiazol-2-yl)benzoate 
• 1220709-02-3 4-(5-(N-butyl-2-fluorobenzamido)-1,3,4-thiadiazol-2-yl)benzoic acid 
• 1220869-43-1 N-butyl-N-[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide 
• 1220870-03-0 tert-butyl 2-(4-(5-(butylamino)-1,3,4-thiadiazol-2-yl)-2,6-dimethylphenoxy)-ethylcarbamate 
• 1220870-05-2 4-[5-(butylamino)-1,3,4-thiadiazol-2-yl]-2,6-dimethylphenyl trifluoromethanesulfonate 
• 1220870-15-4 N-(5-(4-(allyloxy)-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl)-N-butyl-2-methyl-benzamide 

Relevant articles and documents

CERTAIN NEW 4-(2-((5-(SUBSTITUTEDAMINO)-1,3,4-THIADIAZOLE-2-YL)THIO)ACETYL)BENZENESULPHONEAMIDE DERIVATIVES AND A METHOD FOR THE SYNTHESIS OF SAID DERIVATIVES

The invention relates to a certain new 4-(2-((5-(substitutedamino)-1,3,4-thiadiazole-2-yl)thio)acetyl)benzenesulphonamide derivatives for use in pharmaceutics, chemical and pharmaceutical industry, and to a method for the synthesis of said derivatives.

Insight on a new indolinone derivative as an orally bioavailable lead compound against renal cell carcinoma

A series of novel 3-indolinone-thiazolidinones and oxazolidinones 4a-k was synthesized via molecular hybridization approach and sequentially evaluated to explore its cytotoxic activity. The cytotoxicity screening pointed toward the N-cyclohexyl thiazolidinone derivative 4f that revealed promising renal cytotoxicity against CAKI-1 and UO-31 renal cancer cell lines with IC50 values 4.74 and 3.99 μM, respectively, which were comparable to those of sunitinib along with good safety threshold against normal renal cells. Further emphasis on compound 4f renal cytotoxicity was achieved via different enzyme assays and CAKI-1 and UO-31 cell cycle analysis. The results were supported by in silico studies to explore its physicochemical, pharmacokinetic and drug-likeness properties. Finally, compound 4f was subjected to an in vivo pharmacokinetic study through two different routes of administration showing excellent oral bioavailability. This research represents compound 4f as a promising candidate against renal cell carcinoma.

Synthesis and characterization of a new series of thiadiazole derivatives as potential anticancer agents

Cancer is one of the most common causes of death in the world. Despite the importance of combating cancer in healthcare systems and research centers, toxicity in normal tissues and the low efficiency of anticancer drugs are major problems in chemotherapy. Nowadays the aim of many medical research projects is to discover new safer and more effective anticancer agents. 1,3,4-Thiadiazole compounds are important fragments in medicinal chemistry because of their wide range of biological activities, including anticancer activities. The aim of this study was to determine the capacity of newly synthesized 1,3,4-thiadiazole compounds as chemotherapeutic agents. The structures of the obtained compounds were elucidated using 1H-NMR, 13C-NMR and mass spectrometry. Although the thiadiazole derivatives did not prove to be significantly cytotoxic to the tumour tissue cultures, compound 4i showed activity against the C6 rat brain cancer cell line (IC50 0.097 mM) at the tested concentrations.