(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)amine dihydrobromide , CAS No.1559059-86-7

CAS: 1559059-86-7 Cat. No.: D1233502 Molecular Weight: 317.05

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1CN2C(=CSC2=N1)CN.Br.Br
• IUPAC Name: 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethanamine;dihydrobromide
• InChIKey: CWUGRPXDDPYKFA-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3S.2BrH/c7-3-5-4-10-6-8-1-2-9(5)6;;/h4H,1-3,7H2;2*1H
• Molecular Weight: 317.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Thiazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Thiazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolines
• Alternative Parents: Imidazolines Azoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azole - 2-imidazoline - Meta-thiazoline - Isothiourea - Enamine - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Primary aliphatic amine - Amine - Primary amine - Hydrobromide - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
• 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

Chemical and Physical Properties

• Molecular Weight: 317.050 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.902 Da
• Monoisotopic Mass: 314.904 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 209.000
• 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: 3

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