Cas no 22720-76-9 (Ethanone, 1,1'-(5-methyl-2,4-thiophenediyl)bis-)
22720-76-9 structure
Product Name:Ethanone, 1,1'-(5-methyl-2,4-thiophenediyl)bis-
CAS No:22720-76-9
MF:C9H10O2S
MW:182.239501476288
CID:1414565
PubChem ID:20285721
Update Time:2025-04-20
Ethanone, 1,1'-(5-methyl-2,4-thiophenediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1,1'-(5-methyl-2,4-thiophenediyl)bis-
- 1-(4-acetyl-5-methylthiophen-2-yl)ethanone
- 2-methyl-3,5-diacetyl-thiophene
- DTXSID30604656
- SCHEMBL11338456
- 1,1'-(5-Methylthiene-2,4-diyl)di(ethan-1-one)
- 22720-76-9
-
- Inchi： 1S/C9H10O2S/c1-5(10)8-4-9(6(2)11)12-7(8)3/h4H,1-3H3
- InChI Key： OBYWDWGFPSQNLF-UHFFFAOYSA-N
- SMILES： S1C(C(C)=O)=CC(C(C)=O)=C1C
Computed Properties
- Exact Mass: 182.0402
- Monoisotopic Mass: 182.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 1.7
- Topological Polar Surface Area: 62.4?2
Experimental Properties
- PSA: 34.14
Ethanone, 1,1'-(5-methyl-2,4-thiophenediyl)bis- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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