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4-Azetidin-3-yl-thiomorpholine-1,1-dioxide dihydrochloride - 97%, high purity , CAS No.178312-02-2

COA

Grade & Purity:

≥97%

Cas Number: 178312-02-2
Molecular Weight: 263.19
PubChem CID: 72207371
PubChem SID: 504772257

In stock

Item Number

A167988

Grouped product items
SKU	Size	Availability	Price
A167988-50mg	50mg	3	$97.90
A167988-250mg	250mg	3	$376.90
A167988-1g	1g	3	$1,159.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiazinanes
    - Subclass Thiomorpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiazinanes
Subclass	Thiomorpholines
Intermediate Tree Nodes	Not available
Direct Parent	Thiomorpholines
Alternative Parents	Sulfones Trialkylamines Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,4-thiazinane - Sulfone - Azetidine - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiomorpholines. These are heterocyclic compounds containing a thiomorpholine ring, which is a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
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

Pubchem Sid	504772257
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772257
IUPAC Name	4-(azetidin-3-yl)-1,4-thiazinane 1,1-dioxide;dihydrochloride
INCHI	InChI=1S/C7H14N2O2S.2ClH/c10-12(11)3-1-9(2-4-12)7-5-8-6-7;;/h7-8H,1-6H2;2*1H
InChIKey	AXHOLMAQHXNIGR-UHFFFAOYSA-N
Smiles	C1CS(=O)(=O)CCN1C2CNC2.Cl.Cl
Isomeric SMILES	C1CS(=O)(=O)CCN1C2CNC2.Cl.Cl
PubChem CID	72207371
Molecular Weight	263.19

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
L2208515	Certificate of Analysis	Oct 10, 2022	A167988
L2208443	Certificate of Analysis	Oct 10, 2022	A167988
L2208325	Certificate of Analysis	Oct 10, 2022	A167988

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Molecular Weight	263.180 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	262.031 Da
Monoisotopic Mass	262.031 Da
Topological Polar Surface Area	57.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239.000
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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