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438537

Sigma-Aldrich

2-Amino-5-phenyl-1,3,4-thiadiazole

96%

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About This Item

Formule empirique (notation de Hill):
C8H7N3S
Numéro CAS:
Poids moléculaire :
177.23
Numéro MDL:
Code UNSPSC :
12352100
ID de substance PubChem :
Nomenclature NACRES :
NA.22

Pureté

96%

Forme

solid

Pf

223-227 °C (lit.)

Chaîne SMILES 

Nc1nnc(s1)-c2ccccc2

InChI

1S/C8H7N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)

Clé InChI

UHZHEOAEJRHUBW-UHFFFAOYSA-N

Description générale

2-Amino-5-phenyl-1,3,4-thiadiazole on condensation with benzaldehyde (SPT), 4-nitrobenzaldehyde (SNT), 4-methoxybenzaldehyde (SMT), 2-hydroxybenzaldehyde (SSTH) or 2-hydroxyacetophenone affords Schiff′s bases. Its molecular geometry and vibrational frequencies have been evaluated using the Hartree-Fock and density functional method (B3LYP). 2-Amino-5-phenyl-1,3,4-thiadiazole has been reported to inhibit the corrosion of mild steel in 0.5M H2SO4 and 1.0M HCl. Corrosion inhibition has been examined using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS).

Application

2-Amino-5-phenyl-1,3,4-thiadiazole may be used for the synthesis of 1,3,4-thiadiazole derivatives.

Pictogrammes

Exclamation mark

Mention d'avertissement

Warning

Mentions de danger

Classification des risques

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Organes cibles

Respiratory system

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Équipement de protection individuelle

dust mask type N95 (US), Eyeshields, Gloves


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Consulter la Bibliothèque de documents

Synthesis, characterization and antimicrobial activity of some carbamothioyl-1, 3, 4-thiadiazole derivatives.
Salih N, et al.
Synthesis, 4(2), 655-660 (2012)
A K Srivastava et al.
Bioinorganic chemistry and applications, 3(3-4), 289-297 (2008-03-28)
The reactions of bis(cyclopentadienyl)titanium(IV) dichloride with Schiff bases derived by condensing 2- amino-5-phenyl-1,3,4-thiadiazole with benzaldehyde (SPT), 4-nitrobenzaldehyde (SNT), 4-methoxybenzaldehyde (SMT), 2-hydroxybenzaldehyde (SSTH) or 2-hydroxyacetophenone (SATH) have been studied in refluxing tetrahydrofuran and complexes of types [Cp(2)TiCl(SB)]Cl (SB= SPT, SNT or
Y Atalay et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(1), 68-72 (2005-08-13)
The molecular geometry and vibrational frequencies of 2-amino-5-phenyl-1,3,4-thiadiazole (C8H7N3S) in the ground state has been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis set. The optimized geometric bond lengths and bond angles obtained by using HF
Experimental and molecular dynamics studies on corrosion inhibition of mild steel by 2-amino-5-phenyl-1, 3, 4-thiadiazole.
Tang Y, et al.
Corrosion Science, 52(1), 242-249 (2010)
Jingjing Zhang et al.
Carbohydrate polymers, 215, 108-118 (2019-04-15)
In the current study, five novel urea-functionalized chitosan derivatives were synthesized via condensation reactions of chloroacetyl chitosan (CTCS) with urea groups bearing nitrogen-containing heterocycles. In order to identify the structure characteristics of chitosan derivatives, FT-IR, 1H NMR spectroscopy, and elemental

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