| CAS Number | 1314966-54-5 |
| Catalog Number | AG01DYNH |
| Chemical Name | 1,2,3-Trifluoro-5-(methylsulfanyl)benzene |
| IUPAC Name | 1,2,3-trifluoro-5-methylsulfanylbenzene |
| InChI | InChI=1S/C7H5F3S/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | IWHGLLPBSQPTMK-UHFFFAOYSA-N |
| MDL Number | MFCD11617752 |
| Molecular Formula | C7H5F3S |
| Molecular Weight | 178.1748 |
| SMILES | CSC1=CC(F)=C(F)C(F)=C1 |
| Synonyms | 1314966-54-5,
Methyl 3,4,5-trifluorophenyl sulfide,
1,2,3-trifluoro-5-(methylsulfanyl)benzene,
SCHEMBL20079466,
ZINC95729800,
AKOS006315258,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.172g/mol |
| Monoisotopic Mass | 178.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number