Cas no 57248-28-9 (Methanone, (3,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-)
57248-28-9 structure
Product Name:Methanone, (3,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-
CAS No:57248-28-9
MF:C13H10Cl2OS
MW:285.188900470734
CID:346009
PubChem ID:43161438
Update Time:2025-04-19
Methanone, (3,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (3,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)-
- (3,4-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
- 57248-28-9
- SCHEMBL11844213
- DTXSID50655625
- (3,4-Dichlorophenyl)(2,5-dimethylthiophen-3-yl)methanone
-
- Inchi： 1S/C13H10Cl2OS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6H,1-2H3
- InChI Key： JXTXJMLIOMKUQB-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C(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, (3,4-dichlorophenyl)(2,5-dimethyl-3-thienyl)- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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