| CAS Number | 1027730-26-2 |
| Catalog Number | AG01EIOE |
| Chemical Name | tert-Butyl (4-(S-methylsulfonimidoyl)phenyl)carbamate |
| IUPAC Name | tert-butyl N-[4-(methylsulfonimidoyl)phenyl]carbamate |
| InChI | InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(15)14-9-5-7-10(8-6-9)18(4,13)16/h5-8,13H,1-4H3,(H,14,15) |
| InChI Key | HCRWLMDDRIMPLO-UHFFFAOYSA-N |
| MDL Number | MFCD31690028 |
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.3479 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=C(S(=N)(C)=O)C=C1 |
| Synonyms | tert-Butyl [4-(S-methylsulfonimidoyl)phenyl]carbamate,
SCHEMBL12750941,
HCRWLMDDRIMPLO-UHFFFAOYSA-N,
tert-Butyl[4-(S-methylsulfonimidoyl)phenyl]carbamate,
1027730-26-2,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.347g/mol |
| Monoisotopic Mass | 270.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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