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

6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide - CAS 1800430-79-8

Name: 6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013639
Product Name:	6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS:	1800430-79-8
Synonyms:	1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-one; 1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-one
Description:	6-(Trifluoromethyl)benzo[b]thiophen-3(2H)-one 1,1-Dioxide (CAS# 1800430-79-8) is a useful research chemical.
Molecular Weight:	250.19
Molecular Formula:	C9H5F3O3S
Canonical SMILES:	C1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C9H5F3O3S/c10-9(11,12)5-1-2-6-7(13)4-16(14,15)8(6)3-5/h1-3H,4H2
InChI Key:	YDLNWYLUDUKXMY-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Publication Number	Title	Priority Date
EP-3489233-A1	Indole derivative used as crth2 inhibitor	20160721
US-2019248770-A1	Indole derivative used as crth2 inhibitor	20160721
WO-2018014869-A1	Indole derivative used as crth2 inhibitor	20160721
US-10800765-B2	Indole derivative used as CRTH2 inhibitor	20160721

Complexity:	407
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.99114968
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.99114968
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6