Cas no 370-04-7 (S-phenyl fluoroethanethioate)
S-phenyl fluoroethanethioate structure
Product Name:S-phenyl fluoroethanethioate
S-phenyl fluoroethanethioate Chemical and Physical Properties
Names and Identifiers
-
- S-phenyl fluoroethanethioate
- S-phenyl 2-fluoroethanethioate
- 370-04-7
- ACETIC ACID, FLUOROTHIO-, S-PHENYL ESTER
- Phenyl fluorothiolacetate
- DTXSID30190488
- 4-06-00-01523 (Beilstein Handbook Reference)
- BRN 3240822
- 17,846 RP
-
- Inchi: 1S/C8H7FOS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key: ZMFYCHLZRAOBCQ-UHFFFAOYSA-N
- SMILES: S(C(CF)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 170.02021
- Monoisotopic Mass: 170.02016418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 2.6
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
S-phenyl fluoroethanethioate Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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