Thiadiazole - ≥97% , CAS No.289-06-5

CAS: 289-06-5 Cat. No.: T695598 Peso molecular: 86.12 Número EC: 869-482-5 PubChem CID: 119391

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Propiedades del producto

• ALogP: 0.4

Nombres e identificadores

• Sonrisas canónicas: C1=NN=CS1
• IUPAC Name: 1,3,4-thiadiazole
• InChIKey: MBIZXFATKUQOOA-UHFFFAOYSA-N
• INCHI: 1S/C2H2N2S/c1-3-4-2-5-1/h1-2H
• Isómeros SMILES: C1=NN=CS1
• PubChem CID: 119391
• Peso molecular: 86.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiadiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
• External Descriptors: thiadiazole

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: 86.120 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 85.9939 Da
• Monoisotopic Mass: 85.9939 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.800
• 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

Referencias

1. Jing Li, Ying-Xia Ma, Shi-Fan Chang, Wen-Jing Li, Rui-Xiang Wu, Zhi-Da Wang, Yu-Ting Chai, Fen Ran.  (2025)  Fabrication of S, N and O conjugated coordination Ni-MOFs with high electrochemical performance for self-regenerative asymmetric supercapacitor.  JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,      [PMID:] [10.1016/j.jpcs.2025.113062]

2. Gong Man, Zhou Lingling, Xv Liurunzi, Wang Meng, Yang Qingli, Hou Xiudan.  (2025)  Simultaneous determination and degradation of aflatoxin B1 using a covalent-organic framework initiated hydrogel and aptamer-based colorimetric sensing platform.  MICROCHIMICA ACTA,  192  (10): (1-12).  [PMID:40921876] [10.1007/s00604-025-07529-8]