| CAS Number | 1156220-21-1 |
| Catalog Number | AG01A4G3 |
| Chemical Name | (4-[(4-Fluorophenyl)sulfanyl]phenyl)methanamine |
| IUPAC Name | [4-(4-fluorophenyl)sulfanylphenyl]methanamine |
| InChI | InChI=1S/C13H12FNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2 |
| InChI Key | KJTXHQSTASGELX-UHFFFAOYSA-N |
| MDL Number | MFCD12191936 |
| Molecular Formula | C13H12FNS |
| Molecular Weight | 233.3045 |
| SMILES | NCC1=CC=C(SC2=CC=C(F)C=C2)C=C1 |
| Synonyms | {4-[(4-fluorophenyl)sulfanyl]phenyl}methanamine,
1156220-21-1,
SCHEMBL12635869,
ZINC35720114,
NE23472,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.304g/mol |
| Monoisotopic Mass | 233.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number