Cas no 57248-27-8 (Methanone, (2,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-)
57248-27-8 structure
Product Name:Methanone, (2,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-
CAS No:57248-27-8
MF:C13H10Cl2OS
MW:285.188900470734
CID:346010
PubChem ID:43161381
Update Time:2025-04-19
Methanone, (2,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-
- (2,4-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
- (2,4-Dichlorophenyl)(2,5-dimethylthiophen-3-yl)methanone
- DTXSID90655624
- AKOS006034673
- 57248-27-8
-
- Inchi： 1S/C13H10Cl2OS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3
- InChI Key： XSQFPKZZMAONKO-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(C1C=C(C)SC=1C)=O)Cl
Computed Properties
- Exact Mass: 283.9831
- Monoisotopic Mass: 283.983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 297
- 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
- Topological Polar Surface Area: 45.3A^2
- XLogP3: 5
Experimental Properties
- PSA: 17.07
Methanone, (2,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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