4,5-Dihydrocyclopenta[b]thiophen-6-one - CAS 5650-52-2
Catalog: |
BB029382 |
Product Name: |
4,5-Dihydrocyclopenta[b]thiophen-6-one |
CAS: |
5650-52-2 |
Synonyms: |
4,5-dihydrocyclopenta[b]thiophen-6-one; 4,5-dihydrocyclopenta[b]thiophen-6-one |
IUPAC Name: | 4,5-dihydrocyclopenta[b]thiophen-6-one |
Description: | 4,5-Dihydrocyclopenta[b]thiophen-6-one (CAS# 5650-52-2) is a useful research chemical. |
Molecular Weight: | 138.19 |
Molecular Formula: | C7H6OS |
Canonical SMILES: | C1CC(=O)C2=C1C=CS2 |
InChI: | InChI=1S/C7H6OS/c8-6-2-1-5-3-4-9-7(5)6/h3-4H,1-2H2 |
InChI Key: | QHZITEHQKWPDJE-UHFFFAOYSA-N |
Boiling Point: | 239.6 °C at 760 mmHg |
Density: | 1.322 g/cm3 |
MDL: | MFCD03426936 |
LogP: | 1.87700 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
WO-2019205983-A1 | Oxa-spiro compound and preparation method therefor and uses thereof | 20180428 |
CN-111836807-A | Oxaspiro compounds, preparation method and application thereof | 20180428 |
US-2016235716-A1 | Spirocyclic hat inhibitors and methods for their use | 20140918 |
US-2018071262-A1 | Spirocyclic hat inhibitors and methods for their use | 20140918 |
PMID | Publication Date | Title | Journal |
22346995 | 20120201 | 4,5-Dihydro-cyclo-penta-[b]thio-phen-6-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.01393598 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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