Cas no 7023-83-8 (Ethyl bis(methylsulfanyl)acetate)
7023-83-8 structure
Product Name:Ethyl bis(methylsulfanyl)acetate
CAS No:7023-83-8
MF:C6H12O2S2
MW:180.288279533386
CID:2799582
PubChem ID:12634569
Update Time:2025-04-21
Ethyl bis(methylsulfanyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl bis(methylsulfanyl)acetate
- DTXSID00505141
- 7023-83-8
- Ethyl bis(methylsulfanyl)acetate
-
- Inchi： 1S/C6H12O2S2/c1-4-8-5(7)6(9-2)10-3/h6H,4H2,1-3H3
- InChI Key： QHXKFJMNMUICNS-UHFFFAOYSA-N
- SMILES： S(C)C(C(=O)OCC)SC
Computed Properties
- Exact Mass: 180.02787197Da
- Monoisotopic Mass: 180.02787197Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 102
- 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: 1.9
- Topological Polar Surface Area: 76.9?2
Ethyl bis(methylsulfanyl)acetate Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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