1. Home
  2. 6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one1,1-Dioxide

Contact Angene

Tel: +852 8191 6999

Email: sales@angenechemical.com

Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one1,1-Dioxide

O=C1CS(=O)(=O)c2c1ccc(c2)C(F)(F)F Request for Quotation
Chemical Name: 6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one1,1-Dioxide
CAS Number: 1800430-79-8
Product Number: AG00I001(AGN-PC-0WAM5G)
Synonyms:
MDL No: MFCD27500651
Molecular Formula: C9H5F3O3S
Molecular Weight: 250.1944

Identification/Properties

Computed Properties
Molecular Weight:
250.191g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
249.991g/mol
Monoisotopic Mass:
249.991g/mol
Topological Polar Surface Area:
59.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
407
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

Request for Quotation

Customer Feedback

Chemical Structure


6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide is a versatile compound widely used in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and materials. This compound plays a crucial role in the development of novel drugs and substances with enhanced properties due to its unique chemical structure and reactivity. Its incorporation in synthesis pathways allows for the introduction of the trifluoromethyl group, which is highly sought after in medicinal chemistry for its beneficial effects on bioavailability, metabolic stability, and binding affinity. Furthermore, the presence of the benzo[b]thiophene core confers additional structural diversity and potential bioactivity to the resulting molecules. In organic synthesis, this compound serves as a valuable starting material for the construction of complex molecular architectures through key transformations such as functional group interconversions, heterocycle formation, and transition metal-catalyzed reactions. Its utility in chemical synthesis extends to the creation of advanced materials with tailored properties, as well as the preparation of molecular probes for biological studies and drug discovery efforts. The strategic use of 6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide in synthetic routes enables chemists to access a diverse array of compounds with improved characteristics and potential applications across various fields of science and technology.