| CAS Number | 60289-57-8 |
| Catalog Number | AG019M2A(AGN-PC-0KCDCW) |
| Chemical Name | 3-[(4-fluorophenyl)sulfanyl]propan-1-amine |
| IUPAC Name | 3-(4-fluorophenyl)sulfanylpropan-1-amine |
| InChI | InChI=1S/C9H12FNS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2 |
| InChI Key | KGFSXFABRSWLDN-UHFFFAOYSA-N |
| MDL Number | MFCD06336092 |
| Molecular Formula | C9H12FNS |
| Molecular Weight | 185.2617 |
| SMILES | NCCCSC1=CC=C(F)C=C1 |
| Synonyms | 1-[(3-aminopropyl)sulfanyl]-4-fluorobenzene,
60289-57-8,
EN300-34193,
CID2118103,
3-(4-fluorophenyl)sulfanylpropan-1-amine,
AC1M2J3G,
SCHEMBL4654113,
ZINC2654592,
AKOS008965251,
MCULE-9941719728,
NE62598,
BBV-14846955,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.26g/mol |
| Monoisotopic Mass | 185.067g/mol |
| Rotatable Bond Count | 4 |
| 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