| CAS Number | 1208075-20-0 |
| Catalog Number | AG01FCK5(AGN-PC-3H49MK) |
| Chemical Name | 4-fluoro-3-(trifluoromethyl)benzene-1-thiol |
| IUPAC Name | 4-fluoro-3-(trifluoromethyl)benzenethiol |
| InChI | InChI=1S/C7H4F4S/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H |
| InChI Key | ZJMVICZUOVOBPE-UHFFFAOYSA-N |
| MDL Number | MFCD12026135 |
| Molecular Formula | C7H4F4S |
| Molecular Weight | 196.1653 |
| SMILES | Sc1ccc(c(c1)C(F)(F)F)F |
| Synonyms | 4-Fluoro-3-trifluoromethylbenzenethiol,
1208075-20-0,
ZINC36532990,
AKOS006316397,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.163g/mol |
| Monoisotopic Mass | 195.997g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number