| CAS Number | 1909301-38-7 |
| Catalog Number | AG01C5E9 |
| Chemical Name | (1S,4S)-2-Thia-5-azabicyclo[2.2.1]heptane 2-oxide hydrochloride |
| IUPAC Name | (1R,4R)-2λ4-thia-5-azabicyclo[2.2.1]heptane 2-oxide;hydrochloride |
| InChI | InChI=1S/C5H9NOS.ClH/c7-8-3-4-1-5(8)2-6-4;/h4-6H,1-3H2;1H/t4-,5-,8?;/m1./s1 |
| InChI Key | JBCMWVOOFXBLKR-FZEUOFCDSA-N |
| MDL Number | MFCD29763391 |
| Molecular Formula | C5H10ClNOS |
| Molecular Weight | 167.6570 |
| SMILES | Cl.O=S1[C@@H]2CN[C@@H](C2)C1 |
| Synonyms | (1S,4S)-2lambda4-thia-5-azabicyclo[2.2.1]heptan-2-one hydrochloride,
1909301-38-7,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.651g/mol |
| Monoisotopic Mass | 167.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number