| CAS Number | 1275711-70-0 |
| Catalog Number | AG019RZZ |
| Chemical Name | N-(2-[(4-Fluorophenyl)sulfanyl]ethyl)aniline |
| IUPAC Name | N-[2-(4-fluorophenyl)sulfanylethyl]aniline |
| InChI | InChI=1S/C14H14FNS/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h1-9,16H,10-11H2 |
| InChI Key | FBPGBNZQLHKKLS-UHFFFAOYSA-N |
| MDL Number | MFCD17293712 |
| Molecular Formula | C14H14FNS |
| Molecular Weight | 247.3311 |
| SMILES | FC1=CC=C(SCCNC2=CC=CC=C2)C=C1 |
| Synonyms | N-{2-[(4-fluorophenyl)sulfanyl]ethyl}aniline,
1275711-70-0,
ZINC48937093,
AKOS006030161,
MCULE-5133731733,
NE44319,
EN300-91272,
Z266462694,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.331g/mol |
| Monoisotopic Mass | 247.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number