| CAS Number | 1016891-91-0 |
| Catalog Number | AG01AI5Y |
| Chemical Name | 1-[(2-Aminoethyl)sulfanyl]-2-fluorobenzene |
| IUPAC Name | 2-(2-fluorophenyl)sulfanylethanamine |
| InChI | InChI=1S/C8H10FNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2 |
| InChI Key | DMQOBNMJTFEKLG-UHFFFAOYSA-N |
| MDL Number | MFCD09936291 |
| Molecular Formula | C8H10FNS |
| Molecular Weight | 171.2351 |
| SMILES | NCCSC1=C(F)C=CC=C1 |
| Synonyms | 1-[(2-aminoethyl)sulfanyl]-2-fluorobenzene,
1016891-91-0,
ZINC19472857,
AKOS000176179,
NE55279,
2-[(2-fluorophenyl)sulfanyl]ethan-1-amine,
EN300-76798,
|
| Complexity | 110 |
| 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 | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number