| CAS Number | 1936319-38-8 |
| Catalog Number | AG01DZ86 |
| Chemical Name | 2,2-DIOXO-2LAMBDA(6)-THIA-SPIRO[3.3]HEPTAN-6-ONE |
| IUPAC Name | 2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-one |
| InChI | InChI=1S/C6H8O3S/c7-5-1-6(2-5)3-10(8,9)4-6/h1-4H2 |
| InChI Key | XVLHJMGDFVPZRU-UHFFFAOYSA-N |
| MDL Number | MFCD28977620 |
| Molecular Formula | C6H8O3S |
| Molecular Weight | 160.1909 |
| SMILES | C1S(CC12CC(C2)=O)(=O)=O |
| Synonyms | 2,2-DIOXO-2LAMBDA(6)-THIA-SPIRO[3.3]HEPTAN-6-ONE,
1936319-38-8,
ZINC242722814,
2-Thiaspiro[3.3]heptan-6-one 2,2-dioxide,
CS-0091763,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.187g/mol |
| Monoisotopic Mass | 160.019g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
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