2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt - ≥97% , CAS No.340169-03-1

CAS: 340169-03-1 Cat. No.: A469103 Número EC: 630-957-5

GRADE & PURITY ≥97%

Synonyms

AKOS024386617 | 1,3,4-Thiadiazol-2-amine, 5-phenyl-, sulfate (1:1) | SCHEMBL396801 | 5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid | 2-Amino-5-Phenyl-1,3,4-Thiadiazole Sulfate | 2-Amino-5-phenyl-1,3,4-thiadiazole sulfa te,97% | 2-AMINO-5-PHENYL-1 3 4-TH

Storage

Room temperature

Descripción general

Description

2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt is a thiadiazole derivative useful in medicinal chemistry.

Specifications

Sinónimos

AKOS024386617 | 1, 3, 4-Thiadiazol-2-amine, 5-phenyl-, sulfate (1:1) | SCHEMBL396801 | 5-phenyl-1, 3, 4-thiadiazol-2-amine;sulfuric acid | 2-Amino-5-Phenyl-1, 3, 4-Thiadiazole Sulfate | 2-Amino-5-phenyl-1, 3, 4-thiadiazole sulfa te, 97% | 2-AMINO-5-PHENYL-1 3 4-TH

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O
• IUPAC Name: 5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid
• InChIKey: ANBJJAROENDFHC-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3S.H2O4S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H2,9,11);(H2,1,2,3,4)
• Isómeros SMILES: C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O
• WGK Alemania: 3
• Reaxy-Rn: 14194634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14194634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase 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
• Clase: 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: Organic sulfuric acids Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-amino-5-substituted-1,3,4-thiadiazole - Sulfuric acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Peso molecular: 275.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 275.003 Da
• Monoisotopic Mass: 275.003 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 229.000
• 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: 2

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