| CAS Number | 1909336-43-1 |
| Catalog Number | AG01C3A6 |
| Chemical Name | 2lambda6-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride |
| IUPAC Name | 2λ6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide;hydrochloride |
| InChI | InChI=1S/C5H9NO2S.ClH/c7-9(8)3-4-1-5(9)2-6-4;/h4-6H,1-3H2;1H |
| InChI Key | CCLLUNMSIFQAIP-UHFFFAOYSA-N |
| MDL Number | MFCD29060382 |
| Molecular Formula | C5H10ClNO2S |
| Molecular Weight | 183.6564 |
| SMILES | Cl.C12S(CC(NC1)C2)(=O)=O |
| Synonyms | 1909336-43-1,
2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide hydrochloride,
AKOS026700108,
F1907-0858,
2|E?-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride,
2lambda6-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride,
(1R,4R)-2?-THIA-5-AZABICYCLO[2.2.1]HEPTANE-2,2-DIONE HCL,
2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide,
(1R,4R)-2-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride,
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride,
1481613-21-1,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.65g/mol |
| Monoisotopic Mass | 183.012g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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