| CAS Number | 1447671-84-2 |
| Catalog Number | AG01EU6G(AGN-PC-3H47G6) |
| Chemical Name | 1-(Ethylthio)-3-(trifluoromethyl)benzene
|
| IUPAC Name | 1-ethylsulfanyl-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3S/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2H2,1H3 |
| InChI Key | HIAGQDRTGGYWJW-UHFFFAOYSA-N |
| MDL Number | MFCD22484164 |
| Molecular Formula | C9H9F3S |
| Molecular Weight | 206.2280 |
| SMILES | C(F)(F)(F)c1cc(SCC)ccc1 |
| Synonyms | 1-(Ethylsulfanyl)-3-(trifluoromethyl)benzene,
1447671-84-2,
ethyl(3-(trifluoromethyl)phenyl)sulfane,
SCHEMBL18680739,
Ethyl 3-trifluoromethylphenylsulfide,
ZINC95147693,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.226g/mol |
| Monoisotopic Mass | 206.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number