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4-(4-Methylbenzyl)thiomorpholine1，1-dioxide - ≥98%, high purity , CAS No.477858-35-8

COA

Grade & Purity:

≥98%

Cas Number: 477858-35-8
Molecular Weight: 239.34
MDL number: MFCD02082680
PubChem CID: 2815708

In stock

Item Number

T769332

Grouped product items
SKU	Size	Availability	Price
T769332-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$267.90
T769332-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
T769332-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,223.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Toluenes Aralkylamines Thiomorpholines Sulfones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - 1,4-thiazinane - Sulfone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
INCHI	InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3
InChIKey	PBEMXBVPRZGFNM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)CN2CCS(=O)(=O)CC2
Isomeric SMILES	CC1=CC=C(C=C1)CN2CCS(=O)(=O)CC2
PubChem CID	2815708
Molecular Weight	239.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.340 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	239.098 Da
Monoisotopic Mass	239.098 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	298.000
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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