37147-15-2

Basic information

• Product Name: 2-ETHYLTHIO-1,3,4-THIADIAZOLE-5-THIOL
• Synonyms: SPECS AO-780/25081010;2-ETHYLTHIO-5-MERCAPTO-1,3,4-THIADIAZOLE;2-ETHYLTHIO-1,3,4-THIADIAZOLE-5-THIOL;2-ETHYLTHIO-(1,3,4)-THIAZOLE-5-THIOL;5-ETHYLTHIO-1,3,4-THIADIAZOLE-2-THIOL;5-(Ethylthio)-1,3,4-thiadiazole-2(3H)-thione
• CAS NO: 37147-15-2
• Molecular Formula: C₄H₆N₂S₃
• Molecular Weight: 178.3
• Product Categories: chemical additive;organic intermediate;pharmaceutical intermediate
• Mol File: 37147-15-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: 120-122°C
• Boiling Point: 258 °C at 760 mmHg
• Flash Point: 109.8 °C
• Appearance: /
• Density: 1.55 g/cm³
• Vapor Pressure: 0.0141mmHg at 25°C
• Refractive Index: 1.764
• CAS DataBase Reference: 2-ETHYLTHIO-1,3,4-THIADIAZOLE-5-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYLTHIO-1,3,4-THIADIAZOLE-5-THIOL(37147-15-2)
• EPA Substance Registry System: 2-ETHYLTHIO-1,3,4-THIADIAZOLE-5-THIOL(37147-15-2)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 37147-15-2(Hazardous Substances Data)

Usage

Uses

thiadiazole pharmaceutical intermediate

InChI:InChI=1/C4H6N2S3/c1-2-8-4-6-5-3(7)9-4/h2H2,1H3,(H,5,7)

Upstream product

• 1072-71-5 1,3,4-thiadiazolidine-2,5-dithione 
• 74-96-4 ethyl bromide 
• 112401-08-8 hydrazine-N,N'-bis-carbodithioic acid diethyl ester 
• 4628-94-8 2,5-dimercapto-1,3,4-thiadiazole dipotassium salt 
• 2314-49-0 diethyl trithiocarbonate 
• 3926-62-3 sodium monochloroacetic acid 

Relevant articles and documents

Dipolar cycloaddition reactions of nitrilimines

A series of γ-substituted α-methylidene-γ-butyrolactone derivatives underwent regiospecific 1,3-dipolar cycloaddition with N-methyl-C-phenylnitrilimine. These reactions proceeded regiospecifically and with high diastereoselectivity, generally favouring the anti diastereomer as determined by n.m.r, spectroscopy and semiempirical molecular orbital calculations. The assignment for one product was confirmed by X-ray crystallography. N-Methyl- C-phenylnitrilimine underwent regiospecific cycloaddition with a range of C=S-containing dipolarophiles. Substituted thioureas were generally unreactive as dipolarophiles, while 5-thio-substituted 1,3,4-thiadiazole-2(3H)-thiones underwent ready reaction to produce, rather than the expected cycloadducts, complex rearrangement products. The structure of one of these unusual products has been confirmed by X-ray crystallography. A series of disubstituted nitrilimines underwent regiospecific cycloaddition with thiobenzophenone; the structures of the products were confirmed by X-ray crystallography.