6,11-Dihydrodibenzo[b,e]thiepin-11-one - CAS 1531-77-7
Catalog: |
BB010857 |
Product Name: |
6,11-Dihydrodibenzo[b,e]thiepin-11-one |
CAS: |
1531-77-7 |
Synonyms: |
6H-benzo[c][1]benzothiepin-11-one |
IUPAC Name: | 6H-benzo[c][1]benzothiepin-11-one |
Description: | 6,11-Dihydrodibenzo[b,e]thiepin-11-one (CAS# 1531-77-7) is used to inhibit dengue virus replication. |
Molecular Weight: | 226.29 |
Molecular Formula: | C14H10OS |
Canonical SMILES: | C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1 |
InChI: | InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2 |
InChI Key: | JGJDEWXZEIHBNW-UHFFFAOYSA-N |
Boiling Point: | 175-180 °C / 1 mmHg |
Density: | 1.258 g/cm3 |
Appearance: | Off-white crystalline powder |
MDL: | MFCD02093738 |
LogP: | 3.52330 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210074329-A | Macrocyclic Flu Endonuclease Inhibitors | 20181010 |
KR-20190037905-A | A binder resin, a colored photo resist composition, a display partition wall structure comprising the same and a self-luminous display device comprising the same | 20170929 |
TW-201915030-A | Binder resin, color photosensitive resin composition, display partition wall structure containing the same, and self-luminous display device including the same | 20170929 |
WO-2019066246-A1 | BINDER RESIN, COLORED PHOTOSENSITIVE RESIN COMPOSITION, DISPLAY PARTITION STRUCTURE COMPRISING THE SAME, AND ELECTROLUMINESCENT DISPLAY DEVICE INCLUDING THE SAME | 20170929 |
TW-201915002-A | Influenza virus replication inhibitor and use thereof | 20170918 |
PMID | Publication Date | Title | Journal |
21579777 | 20100113 | Dibenzo[b,e]thiepin-11(6H)-one | Acta crystallographica. Section E, Structure reports online |
21580050 | 20091216 | 11-[3-(Dimethyl-amino)prop-yl]-6,11-dihydro-dibenzo[b,e]thiepin-11-ol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.04523611 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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