Cas no 57248-38-1 (Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-)
57248-38-1 structure
Product Name:Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-
CAS No:57248-38-1
MF:C13H14OS2
MW:250.379661083221
CID:345999
PubChem ID:71444246
Update Time:2025-04-19
Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl-
- (4-ethyl-2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanone
- (4-Ethyl-2,5-dimethylthiophen-3-yl)(thiophen-2-yl)methanone
- DTXSID80853036
- 57248-38-1
-
- Inchi: 1S/C13H14OS2/c1-4-10-8(2)16-9(3)12(10)13(14)11-6-5-7-15-11/h5-7H,4H2,1-3H3
- InChI Key: FRSRAMVDHPDBPS-UHFFFAOYSA-N
- SMILES: S1C(C)=C(C(C2=CC=CS2)=O)C(=C1C)CC
Computed Properties
- Exact Mass: 250.04872
- Monoisotopic Mass: 250.04860741g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 267
- 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: 4.6
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 17.07
Methanone, (4-ethyl-2,5-dimethyl-3-thienyl)-2-thienyl- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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