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