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4-(1,1-Dioxothiomorpholino)benzaldehyde - 97%, high purity , CAS No.27913-96-8

COA

Grade & Purity:

≥97%

Cas Number: 27913-96-8
Molecular Weight: 239.29
PubChem CID: 43581615
PubChem SID: 504770216

In stock

Item Number

D155282

Grouped product items
SKU	Size	Availability	Price
D155282-250mg	250mg	2	$38.90
D155282-1g	1g	5	$117.90
D155282-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$381.90

View related series

Morpholines (127) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	MFCD08276340 \| 4-(1,1-Dioxidothiomorpholino)benzaldehyde \| AKOS009607594 \| CBA91396 \| 4-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)benzaldehyde \| AS-64995 \| AMY20748 \| SCHEMBL208973 \| D3162 \| DTXSID10656198 \| 4-(1,1-DIOXO-1??-THIOMORPHOLIN-4-YL)BENZALDEHYDE \|
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

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	Phenylthiomorpholines
Alternative Parents	Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Sulfones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylthiomorpholine - Benzaldehyde - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine 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	504770216
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770216
IUPAC Name	4-(1,1-dioxo-1,4-thiazinan-4-yl)benzaldehyde
INCHI	InChI=1S/C11H13NO3S/c13-9-10-1-3-11(4-2-10)12-5-7-16(14,15)8-6-12/h1-4,9H,5-8H2
InChIKey	JCYZHXMHEACSIN-UHFFFAOYSA-N
Smiles	C1CS(=O)(=O)CCN1C2=CC=C(C=C2)C=O
Isomeric SMILES	C1CS(=O)(=O)CCN1C2=CC=C(C=C2)C=O
Molecular Weight	239.29
Reaxy-Rn	14553012
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14553012&ln=

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.

4 results found

Lot Number	Certificate Type	Date	Item
H2127226	Certificate of Analysis	Jun 07, 2023	D155282
H2127227	Certificate of Analysis	Jun 07, 2023	D155282
F2329206	Certificate of Analysis	Jun 07, 2023	D155282
H2127223	Certificate of Analysis	Jun 07, 2023	D155282

Chemical and Physical Properties

Sensitivity	air sensitive
Boil Point(°C)	518℃
Melt Point(°C)	185 °C
Molecular Weight	239.290 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.062 Da
Monoisotopic Mass	239.062 Da
Topological Polar Surface Area	62.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	325.000
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	1

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