Cas no 462-31-7 (S-(2-fluoroethyl) ethanethioate)
462-31-7 structure
Product Name:S-(2-fluoroethyl) ethanethioate
S-(2-fluoroethyl) ethanethioate Chemical and Physical Properties
Names and Identifiers
-
- S-(2-fluoroethyl) ethanethioate
- Thioacetic acid S-(2-fluoroethyl) ester
- SCHEMBL16352674
- BRN 1743106
- ACETIC ACID, THIO-, S-(2-FLUOROETHYL) ESTER
- thioacetic acid, 2-fluoroethyl ester
- 2-Fluoroethyl thiolacetate
- 462-31-7
- DTXSID10196761
- Ethanethioic S-acid, 2-fluoroethyl ester
- 4-02-00-00544 (Beilstein Handbook Reference)
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- Inchi: 1S/C4H7FOS/c1-4(6)7-3-2-5/h2-3H2,1H3
- InChI Key: MFWYIFRPVITMEP-UHFFFAOYSA-N
- SMILES: S(C(C)=O)CCF
Computed Properties
- Exact Mass: 122.02021
- Monoisotopic Mass: 122.020164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 64.7
- 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
- Topological Polar Surface Area: 42.4
- XLogP3: 1
Experimental Properties
- Density: 1.099
- Boiling Point: 142.43°C (estimate)
- Flash Point: 38.7°C
- Refractive Index: 1.431
- PSA: 17.07
S-(2-fluoroethyl) ethanethioate Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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