| CAS Number | 1039335-62-0 |
| Catalog Number | AG01AUBV |
| Chemical Name | 4-(tert-butylsulfanyl)-3-fluoroaniline |
| IUPAC Name | 4-tert-butylsulfanyl-3-fluoroaniline |
| InChI | InChI=1S/C10H14FNS/c1-10(2,3)13-9-5-4-7(12)6-8(9)11/h4-6H,12H2,1-3H3 |
| InChI Key | LGRLBZUSPANJLX-UHFFFAOYSA-N |
| MDL Number | MFCD11193356 |
| Molecular Formula | C10H14FNS |
| Molecular Weight | 199.2883 |
| SMILES | CC(SC1=C(F)C=C(N)C=C1)(C)C |
| Synonyms | 4-(tert-butylsulfanyl)-3-fluoroaniline,
1039335-62-0,
ZINC20475000,
AKOS009260741,
Z2235386810,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.287g/mol |
| Monoisotopic Mass | 199.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number