| CAS Number | 130922-42-8 |
| Catalog Number | AG019W8K(AGN-PC-02ZBDZ) |
| Chemical Name | 2,4,6-Trifluorobenzene-1-thiol |
| IUPAC Name | 2,4,6-trifluorobenzenethiol |
| InChI | InChI=1S/C6H3F3S/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H |
| InChI Key | XMJMBGTVPJEHKN-UHFFFAOYSA-N |
| MDL Number | MFCD11189397 |
| Molecular Formula | C6H3F3S |
| Molecular Weight | 164.1482 |
| SMILES | C1=C(C=C(C(=C1F)S)F)F |
| Synonyms | 2,4,6-trifluorobenzene-1-thiol,
130922-42-8,
2,4,6-Trifluorobenzenethiol,
AC1Q4LR1,
SCHEMBL2089389,
CTK7B8207,
DTXSID90607461,
ZINC20431098,
AKOS009266202,
NE62084,
FT-0755396,
EN300-51041,
J-005899,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.145g/mol |
| Monoisotopic Mass | 163.991g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number