6,7-Dihydro-4-benzo[b]thiophenone - CAS 13414-95-4
Catalog: |
BB007880 |
Product Name: |
6,7-Dihydro-4-benzo[b]thiophenone |
CAS: |
13414-95-4 |
Synonyms: |
6,7-dihydro-5H-1-benzothiophen-4-one; 6,7-dihydro-5H-1-benzothiophen-4-one |
IUPAC Name: | 6,7-dihydro-5H-1-benzothiophen-4-one |
Description: | 6,7-Dihydro-4-benzo[b]thiophenone (CAS# 13414-95-4) is used as a reagent in the synthesis of anilinopyrimidines as IKKβ inhibitors. Also used as a reagent in the synthesis of peptidomimetics as HIV-1 protease inhibitors. |
Molecular Weight: | 152.21 |
Molecular Formula: | C8H8OS |
Canonical SMILES: | C1CC2=C(C=CS2)C(=O)C1 |
InChI: | InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2 |
InChI Key: | GJEKNELSXNSYAQ-UHFFFAOYSA-N |
Boiling Point: | 120 °C (10 mmHg) |
Density: | 1.245 g/cm3 |
MDL: | MFCD00005861 |
LogP: | 2.26710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021113808-A1 | Cftr-modulating arylamides | 20191205 |
WO-2021113809-A1 | Arylamides and methods of use thereof | 20191205 |
WO-2020158870-A1 | Parkinson's disease therapeutic | 20190130 |
CN-109438471-B | Tricyclic isoxazole compound and preparation method and application thereof | 20181017 |
CN-113087722-A | Tricyclic isoxazole compound and preparation method and application thereof | 20181017 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.02958605 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS