7624-31-9

Basic information

• Product Name: 5-MERCAPTO-1-PROPYLTETRAZOLE
• Synonyms: 5-MERCAPTO-1-PROPYLTETRAZOLE;1-Propyl-1H-tetrazole-5-thiol;1-propyl-2H-tetrazole-5-thione
• CAS NO: 7624-31-9
• Molecular Formula: C4H8N4S
• Molecular Weight: 144.2
• Mol File: 7624-31-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 159.856°C at 760 mmHg
• Flash Point: 50.48°C
• Appearance: /
• Density: 1.429g/cm³
• Vapor Pressure: 2.453mmHg at 25°C
• Refractive Index: 1.693
• CAS DataBase Reference: 5-MERCAPTO-1-PROPYLTETRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-MERCAPTO-1-PROPYLTETRAZOLE(7624-31-9)
• EPA Substance Registry System: 5-MERCAPTO-1-PROPYLTETRAZOLE(7624-31-9)

Safety Data

• Hazardous Substances Data: 7624-31-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H8N4S/c1-2-3-8-4(9)5-6-7-8/h2-3H2,1H3,(H,5,7,9)

Upstream product

• 628-30-8 n-Propyl isothiocyanate 

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.

Product and preparation of 1H-tetrazole-5-thiol derivatives

The process for preparation of and the intermediate compounds such as 1H-tetrazole-5-thiol having the formula STR1 wherein R1 is alkyl, aminoalkyl, acylaminoalkyl, aryl, alkoxycarbonylaminoalkyl, halogen-substituted aryl or alkylamino-substituted aryl and R2 is hydrogen or arakyl, preferably benzyl. The compound is produced by reacting a substituted thiosemicarbazide with an aralkyl chloride, subjecting the resultant compound to diazotization, and reacting the resultant compound with a Friedel Crafts catalyst. Optionally, this may be further hydrolyzed when R1 is aminoalkyl and/or converted to conventional salts.