2-Benzoylthiophene - CAS 135-00-2
Catalog: |
BB008051 |
Product Name: |
2-Benzoylthiophene |
CAS: |
135-00-2 |
Synonyms: |
phenyl(thiophen-2-yl)methanone |
IUPAC Name: | phenyl(thiophen-2-yl)methanone |
Description: | 2-Benzoylthiophene (CAS# 135-00-2) is a useful research chemical. |
Molecular Weight: | 188.25 |
Molecular Formula: | C11H8OS |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=CS2 |
InChI: | InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H |
InChI Key: | DWYFUJJWTRPARQ-UHFFFAOYSA-N |
Boiling Point: | 300 °C (lit.) |
Melting Point: | 56-58 °C (lit.) |
Purity: | 95 % |
Density: | 1.198 g/cm3 |
Appearance: | Off-white to tan powder |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00022495 |
LogP: | 2.97910 |
Publication Number | Title | Priority Date |
CN-112442008-A | Method for preparing 1, 4-dithiine and thiophene compounds by regulating elemental sulfur and active internal alkyne at temperature and conversion reaction of compound | 20200922 |
WO-2021061109-A1 | Photodynamic method of inhibiting growth of a microbial plant pathogen | 20190924 |
CN-110483223-A | The method that pyridine palladium efficient catalytic prepares diaryl ketone compound | 20190911 |
WO-2021049489-A1 | Compound, acid-generating agent, composition, cured product, pattern, and methods for producing cured product and pattern | 20190910 |
WO-2020204733-A1 | A solvent drying composition and processes therfor | 20190403 |
PMID | Publication Date | Title | Journal |
21586360 | 20110101 | Allosteric modulation of purine and pyrimidine receptors | Advances in pharmacology (San Diego, Calif.) |
20735030 | 20100916 | Experimental and theoretical studies on the mechanism of photochemical hydrogen transfer from 2-aminobenzimidazole to nπ* and ππ* aromatic ketones | The journal of physical chemistry. B |
20684598 | 20100812 | Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases | Journal of medicinal chemistry |
19939518 | 20100201 | Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase | European journal of medicinal chemistry |
16930047 | 20060901 | Mechanism of triplet photosensitized Diels-Alder Reaction between indoles and cyclohexadienes: theoretical support for an adiabatic pathway | The Journal of organic chemistry |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02958605 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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