Cas no 55565-69-0 ( )
structure
Product Name:
CAS No:55565-69-0
MF:C12H22O4S2
MW:294.430681705475
CID:944155
PubChem ID:310810
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- NSC215742
- NSC-215742
- 55565-69-0
- DTXSID90309756
-
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- Inchi： 1S/C12H22O4S2/c1-11(2,9(13)14)7-17-5-6-18-8-12(3,4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
- InChI Key： CMWPNZHBMUFTNE-UHFFFAOYSA-N
- SMILES： S(CCSCC(C(=O)O)(C)C)CC(C(=O)O)(C)C
Computed Properties
- Exact Mass: 294.09595153g/mol
- Monoisotopic Mass: 294.09595153g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 271
- 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: 2.4
- Topological Polar Surface Area: 125?2
Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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