2-Amino-5-ethyl-1,3,4-thiadiazole - ≥97% , CAS No.14068-53-2

CAS: 14068-53-2 Cat. No.: A468731 Molecular Weight: 129.18 EC Number: 237-921-4

GRADE & PURITY ≥97%

Synonyms

EINECS 237-921-4 | MFCD00003111 | 4-27-00-08073 (Beilstein Handbook Reference) | BS-3768 | BB 0217151 | DTXSID5065699 | AM90247 | 1,3,4-Thiadiazol-2-amine, 5-ethyl- | bmse000176 | NSC 75711 | Z57052870 | 5-Ethyl-[1,3,4]thiadiazol-2-ylamine | 5-Ethyl-1,3,4

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Influence of 2-amino-5-ethylthio-1,3,4-thiadiazole on inhibition of copper corrosion in an aerated 0.50M HCl solution has been investigated using gravimetric and electrochemical techniques

Application：

2-Amino-5-ethyl-1,3,4-thiadiazole was used in the synthesis of:

3-(5-ethyl-1,3,4-thiadiazol-2-yldiazenyl)-1-methyl-2-phenyl-1H-indole

hetarylazoindole dyes

N-(5-ethyl-[1,3,4]-thiadiazole-2-yl) toluenesulfonamide ligand

Specifications

Synonyms

EINECS 237-921-4 | MFCD00003111 | 4-27-00-08073 (Beilstein Handbook Reference) | BS-3768 | BB 0217151 | DTXSID5065699 | AM90247 | 1, 3, 4-Thiadiazol-2-amine, 5-ethyl- | bmse000176 | NSC 75711 | Z57052870 | 5-Ethyl-[1, 3, 4]thiadiazol-2-ylamine | 5-Ethyl-1, 3, 4

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183017
• Canonical Smiles: CCC1=NN=C(S1)N
• IUPAC Name: 5-ethyl-1,3,4-thiadiazol-2-amine
• InChIKey: QXTRPGAMVIONMK-UHFFFAOYSA-N
• INCHI: 1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
• Isomeric SMILES: CCC1=NN=C(S1)N
• Molecular Weight: 129.18
• Reaxy-Rn: 113614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113614&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiadiazoles
        • Level5 Aminothiadiazoles
          • Level6 2-amino-1,3,4-thiadiazoles
            • Level7 2-amino-5-substituted-1,3,4-thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
• Direct Parent: 2-amino-5-substituted-1,3,4-thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-amino-5-substituted-1,3,4-thiadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position.
• External Descriptors: thiadiazoles - aromatic amine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 200-203 °C (lit.)
• Molecular Weight: 129.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 129.036 Da
• Monoisotopic Mass: 129.036 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 77.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1