1,1-Dioxo-3,4-dihydrobenzo[b]thiepin-5(2H)-one - CAS 22710-97-0
Catalog: |
BB017718 |
Product Name: |
1,1-Dioxo-3,4-dihydrobenzo[b]thiepin-5(2H)-one |
CAS: |
22710-97-0 |
Synonyms: |
1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one; 1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one |
IUPAC Name: | 1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one |
Description: | 1,1-Dioxo-3,4-dihydrobenzo[b]thiepin-5(2H)-one (CAS# 22710-97-0) is a useful research chemical. |
Molecular Weight: | 210.25 |
Molecular Formula: | C10H10O3S |
Canonical SMILES: | C1CC(=O)C2=CC=CC=C2S(=O)(=O)C1 |
InChI: | InChI=1S/C10H10O3S/c11-9-5-3-7-14(12,13)10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2 |
InChI Key: | UWJFARZPXSHTIB-UHFFFAOYSA-N |
LogP: | 2.51760 |
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 |
US-10800765-B2 | Indole derivative used as CRTH2 inhibitor | 20160721 |
AU-5030899-A | Polycyclic thiazolidin-2-ylidene amines, method for the production and use thereof as medicaments | 19980717 |
AU-767151-B2 | Polycyclic thiazolidin-2-ylidene amines, method for the production and use thereof as medicaments | 19980717 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.03506535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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