Cas no 57248-23-4 (Methanone, (4-chlorophenyl)(2,5-dimethyl-3-thienyl)-)
57248-23-4 structure
Product Name:Methanone, (4-chlorophenyl)(2,5-dimethyl-3-thienyl)-
CAS No:57248-23-4
MF:C13H11ClOS
MW:250.743841409683
CID:346014
PubChem ID:43161446
Update Time:2025-04-19
Methanone, (4-chlorophenyl)(2,5-dimethyl-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-chlorophenyl)(2,5-dimethyl-3-thienyl)-
- (4-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
- (4-Chlorophenyl)(2,5-dimethylthiophen-3-yl)methanone
- 57248-23-4
- DTXSID10655626
- SCHEMBL11848681
-
- Inchi： 1S/C13H11ClOS/c1-8-7-12(9(2)16-8)13(15)10-3-5-11(14)6-4-10/h3-7H,1-2H3
- InChI Key： IPECYFRXGJHDDI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C1C=C(C)SC=1C)=O
Computed Properties
- Exact Mass: 250.02203
- Monoisotopic Mass: 250.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 261
- 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: 4.4
Experimental Properties
- PSA: 17.07
Methanone, (4-chlorophenyl)(2,5-dimethyl-3-thienyl)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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