Cas no 1023-68-3 (1,4-Pentadien-3-one, 1-phenyl-5-(2-thienyl)-)
1023-68-3 structure
Product Name:1,4-Pentadien-3-one, 1-phenyl-5-(2-thienyl)-
CAS No:1023-68-3
MF:C15H12OS
MW:240.320182800293
CID:1134091
PubChem ID:54225881
Update Time:2025-04-20
1,4-Pentadien-3-one, 1-phenyl-5-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Pentadien-3-one, 1-phenyl-5-(2-thienyl)-
- 1023-68-3
- 1-Phenyl-5-(2-thienyl)-1,4-pentadien-3-one
- DTXSID501267169
-
- Inchi： 1S/C15H12OS/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-12H
- InChI Key： QFVDNWDUBVJAHH-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C=CC(C=CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 240.06088618g/mol
- Monoisotopic Mass: 240.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 3.8
- Topological Polar Surface Area: 45.3?2
1,4-Pentadien-3-one, 1-phenyl-5-(2-thienyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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