| CAS Number | 1516651-17-4 |
| Catalog Number | AG01BAAL |
| Chemical Name | [2-fluoro-6-(methylsulfanyl)phenyl]methanamine |
| IUPAC Name | (2-fluoro-6-methylsulfanylphenyl)methanamine |
| InChI | InChI=1S/C8H10FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3 |
| InChI Key | OZQJRMFUOXDIOS-UHFFFAOYSA-N |
| MDL Number | MFCD21944396 |
| Molecular Formula | C8H10FNS |
| Molecular Weight | 171.2351 |
| SMILES | CSC1=C(CN)C(F)=CC=C1 |
| Synonyms | [2-fluoro-6-(methylsulfanyl)phenyl]methanamine,
1516651-17-4,
ZINC86476625,
AKOS018073345,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.233g/mol |
| Monoisotopic Mass | 171.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number