| CAS Number | 1140948-95-3 |
| Catalog Number | AG01EIWC |
| Chemical Name | benzyl N-[(2S)-1-(chlorosulfonyl)propan-2-yl]carbamate |
| IUPAC Name | benzyl N-[(2S)-1-chlorosulfonylpropan-2-yl]carbamate |
| InChI | InChI=1S/C11H14ClNO4S/c1-9(8-18(12,15)16)13-11(14)17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m0/s1 |
| InChI Key | NIHFPICSMSDBCI-VIFPVBQESA-N |
| MDL Number | MFCD31666482 |
| Molecular Formula | C11H14ClNO4S |
| Molecular Weight | 291.7512 |
| SMILES | C[C@H](NC(OCC1=CC=CC=C1)=O)CS(Cl)(=O)=O |
| Synonyms | (2S)-N-(Benzyloxycarbonyl)-2-methyltaurine chloride,
benzyl N-[(2S)-1-(chlorosulfonyl)propan-2-yl]carbamate,
1140948-95-3,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.746g/mol |
| Monoisotopic Mass | 291.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number