| CAS Number | 1423034-36-9 |
| Catalog Number | AG01A1IS(AGN-PC-0WOTQW) |
| Chemical Name | 4-(cyclopentylsulfanyl)aniline hydrochloride |
| IUPAC Name | 4-cyclopentylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C11H15NS.ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;/h5-8,10H,1-4,12H2;1H |
| InChI Key | IZRBHBWGYGHVKM-UHFFFAOYSA-N |
| MDL Number | MFCD22421855 |
| Molecular Formula | C11H16ClNS |
| Molecular Weight | 229.7694 |
| SMILES | Cl.NC1=CC=C(SC2CCCC2)C=C1 |
| Synonyms | 4-(cyclopentylsulfanyl)aniline hydrochloride,
1423034-36-9,
AKOS026743328,
NE26676,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.766g/mol |
| Monoisotopic Mass | 229.069g/mol |
| Rotatable Bond Count | 2 |
| 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