15217-53-5

Basic information

• Product Name: 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol
• Synonyms: 1-ETHYL-1H-1,2,3,4-TETRAZOLE-5-THIOL;1-Ethyl-5-mercapto-1,2,3,4-tetrazole;1-ETHYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE;1-Ethyl-5-mercapto-1,2,3,4-tet;1-Ethyl-1,4-dihydro-5H-tetrazole-5-thione;1-Ethyl-5-mercaptote;1-ETHYL-5-MERCAPTO-1H-TETRAZOLE;1-ETHYL-5-MERCAPTOTETRAZOLE
• CAS NO: 15217-53-5
• Molecular Formula: C₃H₆N₄S
• Molecular Weight: 130.17
• EINECS: 239-270-1
• Mol File: 15217-53-5.mol
• Article Data: 3

Chemical Properties

• Melting Point: 43°C
• Boiling Point: 245.182 °C at 760 mmHg
• Flash Point: 102.083 °C
• Appearance: /
• Density: 1.537 g/cm³
• Vapor Pressure: 7.4mmHg at 25°C
• Refractive Index: 1.737
• PKA: 0.70±0.20(Predicted)
• CAS DataBase Reference: 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol(15217-53-5)
• EPA Substance Registry System: 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol(15217-53-5)

Safety Data

• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl
• Hazardous Substances Data: 15217-53-5(Hazardous Substances Data)

Usage

General Description

1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol is a chemical compound with the molecular formula C4H7N3S. It is a sulfur-containing heterocyclic compound that is used in pharmaceuticals and agrochemicals. 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol has been explored for its potential as an antibacterial agent and as a corrosion inhibitor. It is known for its high thermal stability and has been studied for its potential application in energetic materials. Additionally, 1-Ethyl-1H-1,2,3,4-tetrazole-5-thiol has been investigated for its potential use in the synthesis of new materials due to its unique structure and reactivity.

InChI:InChI=1/C3H6N4S/c1-2-7-3(8)4-5-6-7/h2H2,1H3,(H,4,6,8)

Upstream product

• 542-85-8 Ethyl isothiocyanate 

Downstream Products

• 25108-33-2 1-ethyl-1H-tetrazole 
• 1296865-66-1 1-benzyl-5-[3-(1-ethyl-1H-tetrazol-5-ylthio)propylthio]-1H-tetrazole 

Relevant articles and documents

A facile one-pot synthesis of 1-substituted tetrazole-5-thiones and 1-substituted 5-alkyl(aryl)sulfanyltetrazoles from organic isothiocyanates

Treatments of organic isothiocyanates (R-NCS) with NaN3 in the presence of pyridine in water at room temperature gave corresponding various organic tetrazole-thiones, [S=CN4(R)] (R = alkyl or aryl). Isolated products are obtained as white or yellow solids in good yields (76-97%). The molecular structure by X-ray diffraction study for one of products shows the proposed formation. In addition, one-pot synthesis of 1- substituted 5-alkyl(or aryl)sulfanyltetrazoles has been demonstrated. Addition of alkyl or aryl halides into the mixture of organic isothiocyanates, NaN3, and pyridine in water at room temperature exclusively formed 1- substituted 5-alkyl(or aryl)sulfanyltetrazoles (S-derivatives) in high yields.

Cyclized substituted thioureas. II. Preparation of some 1-substituted 1,2,3,4-tetrazole-5-thiones.

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