| CAS Number | 81097-48-5 |
| Catalog Number | AG008L70(AGN-PC-0KY5EI) |
| Chemical Name | 6-Azabicyclo[3.1.0]hexane, 6-[(4-methylphenyl)sulfonyl]- |
| IUPAC Name | 6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexane |
| InChI | InChI=1S/C12H15NO2S/c1-9-5-7-10(8-6-9)16(14,15)13-11-3-2-4-12(11)13/h5-8,11-12H,2-4H2,1H3 |
| InChI Key | KCGSYHXXVLNFJN-UHFFFAOYSA-N |
| MDL Number | MFCD02852961 |
| Molecular Formula | C12H15NO2S |
| Molecular Weight | 237.3180 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1C2C1CCC2 |
| Synonyms | 6-tosyl-6-azabicyclo[3.1.0]hexane,
81097-48-5,
6-Azabicyclo[3.1.0]hexane, 6-[(4-methylphenyl)sulfonyl]-,
N-Tosylcyclopentanoaziridine,
AC1MU44H,
CHEMBL549462,
SCHEMBL2690876,
6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexane,
SCHEMBL14393928,
CTK3E4810,
DTXSID30394762,
MFCD02852961,
AKOS024269758,
MCULE-1323293007,
KS-000019J0,
CS-0037217,
6-[(4-methylphenyl)sulfonyl]-6-azabicyclo[3.1.0]hexane,
ZINC05683529,
CID3660088,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.317g/mol |
| Monoisotopic Mass | 237.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number