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135-00-2 | Phenyl(thiophen-2-yl)methanone
CAS No: 135-00-2 Catalog No: AG003B68 MDL No:MFCD00022495
Product Description
Catalog Number:
AG003B68
Chemical Name:
Phenyl(thiophen-2-yl)methanone
CAS Number:
135-00-2
Molecular Formula:
C11H8OS
Molecular Weight:
188.2456
MDL Number:
MFCD00022495
IUPAC Name:
phenyl(thiophen-2-yl)methanone
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
SMILES:
O=C(c1cccs1)c1ccccc1
EC Number:
205-169-6
NSC Number:
4502
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.244g/mol
Monoisotopic Mass:
188.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
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| Bimolecular hydrogen abstraction from phenols by aromatic ketone triplets. | Photochemistry and photobiology 20060101 |
| Pyrene-benzoylthiophene bichromophores as selective triplet photosensitizers. | Chemical communications (Cambridge, England) 20051128 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Allosteric modulation of the adenosine family of receptors. | Mini reviews in medicinal chemistry 20050601 |
| Geometrical effects on the intramolecular quenching of pi,pi* aromatic ketones by phenols and indoles. | The Journal of organic chemistry 20041210 |
| Steady-state and time-resolved studies on the formation of skatolyl radicals photosensitized by 2-benzoylthiophene. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20031101 |
| Photoreaction between 2-benzoylthiophene and phenol or indole. | The Journal of organic chemistry 20030627 |
| Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in tiaprofenic acid/ketoprofen cross-photoreactivity. | Chemical research in toxicology 20011101 |
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