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4-(4-Hydroxyphenyl)thiomorpholine 1,1-Dioxide - 98%, high purity , CAS No.103661-13-8

COA

Grade & Purity:

≥98%

Cas Number: 103661-13-8
Molecular Weight: 227.28
MDL number: MFCD06797109
PubChem CID: 21845223

In stock

Item Number

H157195

Grouped product items
SKU	Size	Availability	Price	Qty
H157195-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
H157195-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$245.90

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

Basic Description

Synonyms	4-(4-Hydroxyphenyl)-1lambda~6~,4-thiazinane-1,1-dione \| 4-(4-Hydroxyphenyl)thiomorpholine 1,1-Dioxide \| AS-66605 \| MFCD06797109 \| H1063 \| 4-(1,1-dioxo-1,4-thiazinan-4-yl)phenol \| 4-Thiomorpholinophenol 1',1'-Dioxide \| SCHEMBL5886084 \| AB29554 \| 4-(p-hydro
Specifications & Purity	≥98%
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	p-Aminophenols Dialkylarylamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Sulfones Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylthiomorpholine - Aminophenol - P-aminophenol - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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

IUPAC Name	4-(1,1-dioxo-1,4-thiazinan-4-yl)phenol
INCHI	InChI=1S/C10H13NO3S/c12-10-3-1-9(2-4-10)11-5-7-15(13,14)8-6-11/h1-4,12H,5-8H2
InChIKey	NSHOLIWPDBJMPT-UHFFFAOYSA-N
Smiles	C1CS(=O)(=O)CCN1C2=CC=C(C=C2)O
Isomeric SMILES	C1CS(=O)(=O)CCN1C2=CC=C(C=C2)O
Molecular Weight	227.28
Reaxy-Rn	13476907
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13476907&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solubility in Methanol almost transparency;
Sensitivity	Air sensitive
Melt Point(°C)	154-158°C
Molecular Weight	227.280 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	227.062 Da
Monoisotopic Mass	227.062 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	287.000
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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