| CAS Number | 1233142-91-0 |
| Catalog Number | AG01APOX |
| Chemical Name | 6-[(4-methylphenyl)sulfonyl]-2-thia-6-azaspiro[3.3]heptane |
| IUPAC Name | 6-(4-methylphenyl)sulfonyl-2-thia-6-azaspiro[3.3]heptane |
| InChI | InChI=1S/C12H15NO2S2/c1-10-2-4-11(5-3-10)17(14,15)13-6-12(7-13)8-16-9-12/h2-5H,6-9H2,1H3 |
| InChI Key | BWJOGTHPNZKDLU-UHFFFAOYSA-N |
| MDL Number | MFCD21092023 |
| Molecular Formula | C12H15NO2S2 |
| Molecular Weight | 269.3830 |
| SMILES | S(=O)(=O)(C1=CC=C(C)C=C1)N1CC2(CSC2)C1 |
| Synonyms | 1233142-91-0,
6-[(4-methylphenyl)sulfonyl]-2-thia-6-azaspiro[3.3]heptane,
SCHEMBL18396758,
ZINC74934288,
AKOS015958305,
F2147-1026,
6-(4-methylbenzenesulfonyl)-2-thia-6-azaspiro[3.3]heptane,
6-(4-methylphenyl)sulfonyl-2-thia-6-azaspiro[3.3]heptane,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.377g/mol |
| Monoisotopic Mass | 269.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number