| CAS Number | 1311315-02-2 |
| Catalog Number | AG01AHIY |
| Chemical Name | 2-(3-chlorophenyl)-2-(propan-2-ylsulfanyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3-chlorophenyl)-2-propan-2-ylsulfanylethanamine;hydrochloride |
| InChI | InChI=1S/C11H16ClNS.ClH/c1-8(2)14-11(7-13)9-4-3-5-10(12)6-9;/h3-6,8,11H,7,13H2,1-2H3;1H |
| InChI Key | BWYRGXKQLTWCCO-UHFFFAOYSA-N |
| MDL Number | MFCD18785485 |
| Molecular Formula | C11H17Cl2NS |
| Molecular Weight | 266.2304 |
| SMILES | Cl.CC(SC(C1=CC(Cl)=CC=C1)CN)C |
| Synonyms | 2-(3-chlorophenyl)-2-(propan-2-ylsulfanyl)ethan-1-amine hydrochloride,
1311315-02-2,
MCULE-6775660304,
NE61002,
EN300-74891,
Z1696814407,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.224g/mol |
| Monoisotopic Mass | 265.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number