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1-Ethylphenoxathiin 10,10-dioxide , CAS No.134476-36-1

COA

Cas Number: 134476-36-1
Molecular Weight: 260.31
PubChem CID: 126111

In stock

Item Number

E668046

Grouped product items
SKU	Size	Availability	Price	Qty
E668046-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
E668046-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	BW-1370U87 \| 1-Ethylphenoxathiin 10,10-dioxide \| 1-ethylphenoxathiine 10,10-dioxide \| V8Y35IOM23 \| Phenoxathiin, 1-ethyl-, 10,10-dioxide \| Phenoxathiin, 1-ethyl-,10,10-dioxide \| UNII-V8Y35IOM23 \| DTXSID70158729 \| HQSRQKBSOOZLHH-UHFFFAOYSA-N \| BDBM50009741

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxathiins
    - Subclass Phenoxathiins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxathiins
Subclass	Phenoxathiins
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxathiins
Alternative Parents	Diarylethers Oxathiins Benzenoids Sulfones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenoxathiin - Diaryl ether - Benzenoid - 1,4-oxathiin - Sulfone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
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

Associated Targets(Human)

MAOA Tclin Amine oxidase [flavin-containing] A (1 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-ethylphenoxathiine 10,10-dioxide
INCHI	InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3
InChIKey	HQSRQKBSOOZLHH-UHFFFAOYSA-N
Smiles	CCC1=C2C(=CC=C1)OC3=CC=CC=C3S2(=O)=O
Isomeric SMILES	CCC1=C2C(=CC=C1)OC3=CC=CC=C3S2(=O)=O
PubChem CID	126111
Molecular Weight	260.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	260.310 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	260.051 Da
Monoisotopic Mass	260.051 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	398.000
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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