Cas no 57248-36-9 (Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)phenyl-)
57248-36-9 structure
Product Name:Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)phenyl-
CAS No:57248-36-9
MF:C15H16OS
MW:244.351943016052
CID:346001
PubChem ID:71444248
Update Time:2025-04-19
Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)phenyl-
- (4-ethyl-2,5-dimethylthiophen-3-yl)-phenylmethanone
- DTXSID00853038
- 57248-36-9
- (4-Ethyl-2,5-dimethylthiophen-3-yl)(phenyl)methanone
-
- Inchi： 1S/C15H16OS/c1-4-13-10(2)17-11(3)14(13)15(16)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
- InChI Key： HXILJIKTCBJZMG-UHFFFAOYSA-N
- SMILES： S1C(C)=C(C(C2C=CC=CC=2)=O)C(=C1C)CC
Computed Properties
- Exact Mass: 244.09228
- Monoisotopic Mass: 244.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)phenyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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