Cas no 777094-91-4 (Benzene,1-fluoro-2-[(S)-methylsulfinyl]-)
![Benzene,1-fluoro-2-[(S)-methylsulfinyl]- structure](https://ossimg.kuujia.com/scimg/777500/777094-91-4x500.png)
777094-91-4 structure
Product Name:Benzene,1-fluoro-2-[(S)-methylsulfinyl]-
CAS No:777094-91-4
MF:C7H7FOS
MW:158.193284273148
CID:552987
PubChem ID:42018470
Update Time:2025-04-19
Benzene,1-fluoro-2-[(S)-methylsulfinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-fluoro-2-[(S)-methylsulfinyl]-
- Benzene, 1-fluoro-2-[(S)-methylsulfinyl]- (9CI)
- 1-fluoro-2-[(S)-methylsulfinyl]benzene
- 1-Fluoro-2-[(S)-methanesulfinyl]benzene
- DTXSID80654661
- 777094-91-4
-
- Inchi： 1S/C7H7FOS/c1-10(9)7-5-3-2-4-6(7)8/h2-5H,1H3/t10-/m0/s1
- InChI Key： WGHGBNPMKQBQQV-JTQLQIEISA-N
- SMILES： [S@](C)(C1C=CC=CC=1F)=O
Computed Properties
- Exact Mass: 158.02016418g/mol
- Monoisotopic Mass: 158.02016418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- PSA: 36.28000
- LogP: 2.42880
Benzene,1-fluoro-2-[(S)-methylsulfinyl]- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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