| CAS Number | 439291-57-3 |
| Catalog Number | AG01C54K |
| Chemical Name | 4-Fluoro-2-(methylsulfanyl)aniline |
| IUPAC Name | 4-fluoro-2-methylsulfanylaniline |
| InChI | InChI=1S/C7H8FNS/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | AMMSFTYNNBFRHE-UHFFFAOYSA-N |
| MDL Number | MFCD16744398 |
| Molecular Formula | C7H8FNS |
| Molecular Weight | 157.2085 |
| SMILES | CSC1=C(N)C=CC(F)=C1 |
| Synonyms | 4-FLUORO-2-(METHYLSULFANYL)ANILINE,
439291-57-3,
4-fluoro-2-(methylthio)aniline,
2-methylthio-4-fluoroaniline,
SCHEMBL1512264,
AMMSFTYNNBFRHE-UHFFFAOYSA-N,
ZINC38234048,
AKOS011663336,
4-fluoro-2-methylsulfanyl-aniline,
CID11094885,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.206g/mol |
| Monoisotopic Mass | 157.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number