| CAS Number | 98486-87-4 |
| Catalog Number | AG01AD2F |
| Chemical Name | 1-[(6-Aminohexyl)sulfanyl]ethan-1-one hydrochloride |
| IUPAC Name | S-(6-aminohexyl) ethanethioate;hydrochloride |
| InChI | InChI=1S/C8H17NOS.ClH/c1-8(10)11-7-5-3-2-4-6-9;/h2-7,9H2,1H3;1H |
| InChI Key | YZYAVUQEZDSMPO-UHFFFAOYSA-N |
| MDL Number | MFCD26936228 |
| Molecular Formula | C8H18ClNOS |
| Molecular Weight | 211.7526 |
| SMILES | CC(SCCCCCCN)=O.Cl |
| Synonyms | 1-[(6-aminohexyl)sulfanyl]ethan-1-one hydrochloride,
98486-87-4,
AKOS032957220,
NE19095,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.748g/mol |
| Monoisotopic Mass | 211.08g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 68.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number