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1,4-Dithia-7-azaspiro[4.5]decane, HCl - 95%, high purity , CAS No.958451-84-8

COA

Grade & Purity:

≥95%

Cas Number: 958451-84-8
Molecular Weight: 211.8
PubChem CID: 45158740

In stock

Item Number

D188861

Grouped product items
SKU	Size	Availability	Price	Qty
D188861-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,508.90
D188861-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,348.90

Basic Description

Synonyms	958451-84-8 \| 1,4-Dithia-7-azaspiro[4.5]decane hydrochloride \| 1,4-Dithia-7-aza-spiro[4.5]decane hydrochloride \| 1,4-dithia-9-azaspiro[4.5]decane;hydrochloride \| 1,4-Dithia-7-azaspiro[4.5]decane, HCl \| DTXSID00669691 \| AKOS015848365 \| FT-0689952 \| 1,4-Dithia-7-azaspiro[4
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azaspirodecane derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azaspirodecane derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azaspirodecane derivatives
Alternative Parents	Dithioketals Piperidines 1,3-dithiolanes Dialkylthioethers Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azaspirodecane - Dithioketal - Piperidine - Thioacetal - Dithiolane - 1,3-dithiolane - Thioether - Secondary amine - Azacycle - Secondary aliphatic amine - Dialkylthioether - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aliphatic heteropolycyclic compound
Description	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
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

Names and Identifiers

IUPAC Name	1,4-dithia-9-azaspiro[4.5]decane;hydrochloride
INCHI	InChI=1S/C7H13NS2.ClH/c1-2-7(6-8-3-1)9-4-5-10-7;/h8H,1-6H2;1H
InChIKey	WWUSHZFMPSKSHJ-UHFFFAOYSA-N
Smiles	C1CC2(CNC1)SCCS2.Cl
Isomeric SMILES	C1CC2(CNC1)SCCS2.Cl
PubChem CID	45158740
Molecular Weight	211.8

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	211.026 Da
Monoisotopic Mass	211.026 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121.000
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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