| CAS Number | 1242161-32-5 |
| Catalog Number | AG01DYJZ |
| Chemical Name | tert-butyl N-[(benzenesulfonyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-(benzenesulfonylmethyl)carbamate |
| InChI | InChI=1S/C12H17NO4S/c1-12(2,3)17-11(14)13-9-18(15,16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14) |
| InChI Key | XNSBXNNKFMZTSW-UHFFFAOYSA-N |
| MDL Number | MFCD31616019 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | CC(OC(NCS(C1=CC=CC=C1)(=O)=O)=O)(C)C |
| Synonyms | 1242161-32-5,
tert-butyl N-[(benzenesulfonyl)methyl]carbamate,
tert-butyl ((phenylsulfonyl)methyl)carbamate,
SCHEMBL15806525,
AKOS034129753,
Phenylsulfonylmethylcarbamic acid tert-butyl ester,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.331g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number