| CAS Number | 590409-14-6 |
| Catalog Number | AG01DWIN(AGN-PC-0SR5J0) |
| Chemical Name | 3-(tert-Butoxycarbonyl)-1,3-thiazinane-4-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid |
| InChI | InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-6-16-5-4-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) |
| InChI Key | BXVMDHQHMAEZRG-UHFFFAOYSA-N |
| MDL Number | MFCD26099141 |
| Molecular Formula | C10H17NO4S |
| Molecular Weight | 247.3113 |
| SMILES | CC(OC(N1C(C(O)=O)CCSC1)=O)(C)C |
| Synonyms | 590409-14-6,
3-(tert-Butoxycarbonyl)-1,3-thiazinane-4-carboxylic acid,
SCHEMBL1249539,
MFCD26099141,
AKOS023805235,
AS-0143,
3-(t-Butoxycarbonyl)-1,3-thiazinane-4-carboxylic acid,
3-[(tert-butoxy)carbonyl]-1,3-thiazinane-4-carboxylic acid,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.309g/mol |
| Monoisotopic Mass | 247.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number