Skip to the beginning of the images gallery

2-(Trifluoromethyl)thioxanthen-9-one - 98%, high purity , CAS No.1693-28-3

COA

Grade & Purity:

≥98%

Cas Number: 1693-28-3
Molecular Weight: 280.26
Beilstein Registry Number: 17(5)10,465
EC Number: 216-893-7
MDL number: MFCD00079785
PubChem CID: 74324
PubChem SID: 504754799

In stock

Item Number

T102694

Grouped product items
SKU	Size	Availability	Price
T102694-5g	5g	3	$61.90
T102694-25g	25g	3	$185.90
T102694-100g	100g	2	$666.90

View related series

Heterocyclic fluorine-containing block (9) Synthetic block (741)

Basic Description

Synonyms	Thioxanthen-9-one, 2-(trifluoromethyl)- \| AMY32511 \| 112GI002 \| 7J4R9HK2QN \| 9H-Thioxanthen-9-one, 2-(trifluoromethyl)- \| AKOS015852798 \| CCG-51589 \| PD055610 \| 2-(Trifluoromethyl)-9H-thioxanthen-9-one \| MFCD00079785 \| SR-01000640881-1 \| 2-(Trifluoromethy
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.
Product Description	Product Introduction This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia.

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 Heteroaromatic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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	504754799
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754799
IUPAC Name	2-(trifluoromethyl)thioxanthen-9-one
INCHI	InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
InChIKey	NEWRXGDGZGIHIS-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F
WGK Germany	3
PubChem CID	74324
Molecular Weight	280.26
Beilstein	17(5)10,465
Reaxy-Rn	1583738

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.

5 results found

Lot Number	Certificate Type	Date	Item
H1821061	Certificate of Analysis	Jun 20, 2022	T102694
H1821060	Certificate of Analysis	Jun 20, 2022	T102694
E2211184	Certificate of Analysis	Mar 09, 2022	T102694
E2211179	Certificate of Analysis	Mar 09, 2022	T102694
E2211185	Certificate of Analysis	Mar 09, 2022	T102694

Chemical and Physical Properties

Solubility	Soluble in Toluene
Sensitivity	Light Sensitive
Melt Point(°C)	147-151°C
Molecular Weight	280.270 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	280.017 Da
Monoisotopic Mass	280.017 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	368.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration