1,4-Dithia-8-azaspiro[4.6]undecane, HCl - ≥95% , CAS No.947534-12-5

CAS: 947534-12-5 Cat. No.: D188554 Peso molecular: 225.8 PubChem CID: 45158672

GRADE & PURITY ≥95%

Synonyms

947534-12-5|1,4-Dithia-8-azaspiro[4.6]undecane hydrochloride|1,4-Dithia-8-azaspiro[4.6]undecane, HCl|1,4-dithia-9-azaspiro[4.6]undecane;hydrochloride|DTXSID80669639|AKOS015848336|1,4-DITHIA-8-AZASPIRO[4.6]UNDECANE HCL|1,4-Dithia-8-azaspiro[4.6]undecanehyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

947534-12-5 | 1, 4-Dithia-8-azaspiro[4.6]undecane hydrochloride | 1, 4-Dithia-8-azaspiro[4.6]undecane, HCl | 1, 4-dithia-9-azaspiro[4.6]undecane;hydrochloride | DTXSID80669639 | AKOS015848336 | 1, 4-DITHIA-8-AZASPIRO[4.6]UNDECANE HCL | 1, 4-Dithia-8-azaspiro[4.6]undecanehyd

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC2(CCNC1)SCCS2.Cl
• IUPAC Name: 1,4-dithia-9-azaspiro[4.6]undecane;hydrochloride
• InChIKey: INUFMGOPPCKPMJ-UHFFFAOYSA-N
• INCHI: 1S/C8H15NS2.ClH/c1-2-8(3-5-9-4-1)10-6-7-11-8;/h9H,1-7H2;1H
• Isómeros SMILES: C1CC2(CCNC1)SCCS2.Cl
• PubChem CID: 45158672
• Peso molecular: 225.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Dithioketals Azepanes 1,3-dithiolanes Dialkylthioethers Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Azepane - Dithioketal - Thioacetal - Dithiolane - 1,3-dithiolane - Secondary aliphatic amine - Azacycle - Dialkylthioether - Secondary amine - Thioether - Amine - Hydrochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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: 225.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.041 Da
• Monoisotopic Mass: 225.041 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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

XLogP3