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Thioxanthene - ≥98%, high purity , CAS No.261-31-4

COA

Grade & Purity:

≥98%

Cas Number: 261-31-4
Molecular Weight: 198.29
PubChem CID: 67495

In stock

Item Number

T694194

Grouped product items
SKU	Size	Availability	Price
T694194-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
T694194-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$215.90
T694194-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$737.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiopyrans
    - Subclass 1-benzothiopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiopyrans
Subclass	1-benzothiopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Thioxanthenes
Alternative Parents	Diarylthioethers Benzenoids Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thioxanthene - Diarylthioether - Aryl thioether - Benzenoid - Thioether - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
External Descriptors	thioxanthene
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 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	9H-thioxanthene
INCHI	InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChIKey	PQJUJGAVDBINPI-UHFFFAOYSA-N
Smiles	C1C2=CC=CC=C2SC3=CC=CC=C31
Isomeric SMILES	C1C2=CC=CC=C2SC3=CC=CC=C31
PubChem CID	67495
Molecular Weight	198.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.290 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	198.05 Da
Monoisotopic Mass	198.05 Da
Topological Polar Surface Area	25.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181.000
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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