Cas no 20461-96-5 (Acetic acid, bis(phenylthio)-, ethyl ester)
20461-96-5 structure
Product Name:Acetic acid, bis(phenylthio)-, ethyl ester
CAS No:20461-96-5
MF:C16H16O2S2
MW:304.427042007446
CID:1394483
PubChem ID:11483537
Update Time:2025-04-20
Acetic acid, bis(phenylthio)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, bis(phenylthio)-, ethyl ester
- ethyl 2,2-bis(phenylsulfanyl)acetate
- SCHEMBL3035291
- DTXSID00467391
- 20461-96-5
- Bis-phenylsulfanyl-acetic acid ethyl ester
-
- Inchi： 1S/C16H16O2S2/c1-2-18-15(17)16(19-13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12,16H,2H2,1H3
- InChI Key： XTRVHAAFWOCIRN-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C(C(=O)OCC)SC1C=CC=CC=1
Computed Properties
- Exact Mass: 304.05928
- Monoisotopic Mass: 304.05917210g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 264
- 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: 5.1
- Topological Polar Surface Area: 76.9?2
Experimental Properties
- PSA: 26.3
Acetic acid, bis(phenylthio)-, ethyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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