| CAS Number | 1158224-25-9 |
| Catalog Number | AG00HD2B(AGN-PC-0WR4J8) |
| Chemical Name | 3-[(4-Fluorophenyl)thio]propan-1-amine, HCl |
| IUPAC Name | 3-(4-fluorophenyl)sulfanylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12FNS.ClH/c10-8-2-4-9(5-3-8)12-7-1-6-11;/h2-5H,1,6-7,11H2;1H |
| InChI Key | ZVZPKJADUOVHJO-UHFFFAOYSA-N |
| MDL Number | MFCD08447172 |
| Molecular Formula | C9H13ClFNS |
| Molecular Weight | 221.7226 |
| SMILES | Cl.NCCCSC1=CC=C(F)C=C1 |
| Synonyms | 3-[(4-fluorophenyl)thio]propan-1-amine hydrochloride,
1158224-25-9,
3-[(4-fluorophenyl)sulfanyl]propan-1-amine hydrochloride,
1-[(3-aminopropyl)sulfanyl]-4-fluorobenzene hydrochloride,
AC1Q3DCK,
CTK7E8549,
MFCD08447172,
NE13919,
EN300-08848,
3-[(4-Fluorophenyl)thio]propan-1-amine, HCl,
{3-[(4-fluorophenyl)thio]propyl}amine hydrochloride,
3-(4-fluorophenylthio)propan-1-amine hydrochloride,
Z56988241,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.718g/mol |
| Monoisotopic Mass | 221.044g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number