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2-Bromo-9H-thioxanthen-9-one - 96%, high purity , CAS No.20077-10-5

COA

Grade & Purity:

≥96%

Cas Number: 20077-10-5
Molecular Weight: 291.16
MDL number: MFCD00093494
PubChem CID: 318101
PubChem SID: 488189474

In stock

Item Number

B405450

Grouped product items
SKU	Size	Availability	Price
B405450-250mg	250mg	3	$31.90
B405450-1g	1g	3	$75.90
B405450-5g	5g	1	$245.90

Basic Description

Synonyms	I11307 \| 2-Bromo-10-thiaxanthenone \| NSC252143 \| NSC-252143 \| 2-Bromo-thioxanthen-9-one \| 2-bromothioxanthen-9-one \| CCG-24152 \| 2-Bromothioxanthone \| SCHEMBL1615357 \| AKOS000507810 \| DTXSID10312323 \| NCGC00342989-01 \| XOYDXFFMXDJBQU-UHFFFAOYSA-N \| InChI=
Specifications & Purity	≥96%
Product Description	Maximum Absorption Wavelength:381(DMF)nm

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiochromenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiochromenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiochromenes
Alternative Parents	1-benzothiopyrans Benzenoids Aryl bromides Heteroaromatic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
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	488189474
IUPAC Name	2-bromothioxanthen-9-one
INCHI	InChI=1S/C13H7BrOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey	XOYDXFFMXDJBQU-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Br
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Br
Molecular Weight	291.16
Reaxy-Rn	172476
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172476&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
C2528154	Certificate of Analysis	Sep 15, 2022	B405450
K2202135	Certificate of Analysis	Sep 15, 2022	B405450
K2202134	Certificate of Analysis	Sep 15, 2022	B405450
K2202229	Certificate of Analysis	Sep 15, 2022	B405450

Chemical and Physical Properties

Melt Point(°C)	166 °C
Molecular Weight	291.160 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	289.94 Da
Monoisotopic Mass	289.94 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	294.000
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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