Cas no 745052-90-8 (ethyl 2-(4-(ethylthio)phenyl)acetate)
745052-90-8 structure
Product Name:ethyl 2-(4-(ethylthio)phenyl)acetate
CAS No:745052-90-8
MF:C12H16O2S
MW:224.319242477417
CID:2115786
PubChem ID:82553740
Update Time:2025-04-21
ethyl 2-(4-(ethylthio)phenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(4-(ethylthio)phenyl)acetate
- GLFFKIVJNHWDNB-UHFFFAOYSA-N
- SCHEMBL15956080
- ethyl2-(4-(ethylthio)phenyl)acetate
- Ethyl 4-(ethylthio)benzeneacetate
- ethyl 2-[4-(ethylsulfanyl)phenyl]acetate
- 745052-90-8
- ethyl (4-ethylsulfanylphenyl)acetate
- ethyl(4-ethylsulfanylphenyl)acetate
- DA-34513
- DTXSID801299367
-
- Inchi： 1S/C12H16O2S/c1-3-14-12(13)9-10-5-7-11(8-6-10)15-4-2/h5-8H,3-4,9H2,1-2H3
- InChI Key： GLFFKIVJNHWDNB-UHFFFAOYSA-N
- SMILES： S(CC)C1C=CC(=CC=1)CC(=O)OCC
Computed Properties
- Exact Mass: 224.08710092Da
- Monoisotopic Mass: 224.08710092Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 186
- 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: 3.2
- Topological Polar Surface Area: 51.6?2
ethyl 2-(4-(ethylthio)phenyl)acetate Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
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
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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