| CAS Number | 1016521-21-3 |
| Catalog Number | AG019MWV(AGN-PC-0WO9R1) |
| Chemical Name | 6-Methanesulfonyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C10H13NO2S/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3 |
| InChI Key | FBCGZNQGQDPYAH-UHFFFAOYSA-N |
| MDL Number | MFCD09929119 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | CS(C1=CC2=C(NCCC2)C=C1)(=O)=O |
| Synonyms | 6-methanesulfonyl-1,2,3,4-tetrahydroquinoline,
1016521-21-3,
6-(methylsulfonyl)-1,2,3,4-tetrahydroquinoline,
AC1Q4GKG,
SCHEMBL515171,
ZINC19426282,
AKOS000167099,
MCULE-8634704907,
NE30762,
EN300-37551,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number