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438537

Sigma-Aldrich

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

96%

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About This Item

Empirical Formula (Hill Notation):
C8H7N3S
CAS Number:
2002-03-1
Molecular Weight:
177.23
MDL number:
MFCD00205278
UNSPSC Code:
12352100
PubChem Substance ID:
24867459
NACRES:
NA.22

Quality Level

100

Assay

96%

form

solid

mp

223-227 °C (lit.)

functional group

phenyl

SMILES string

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)

InChI key

UHZHEOAEJRHUBW-UHFFFAOYSA-N

Related Categories

General description

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

438537-VAR:
438537-1G:
438537-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP2523V
MKBJ8253V
MKBG8301V
MKBF2880
00605MH

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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
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)
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
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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