| CAS Number | 1214654-03-1 |
| Catalog Number | AG019VB0(AGN-PC-0WOCN4) |
| Chemical Name | 8a-methyl-5-oxo-hexahydro-[1,3]thiazolo[2,3-c]thiomorpholine-3-carboxylic acid |
| IUPAC Name | 8a-methyl-5-oxo-3,8-dihydro-2H-[1,3]thiazolo[2,3-c][1,4]thiazine-3-carboxylic acid |
| InChI | InChI=1S/C8H11NO3S2/c1-8-4-13-3-6(10)9(8)5(2-14-8)7(11)12/h5H,2-4H2,1H3,(H,11,12) |
| InChI Key | SOPRAOQYERTWOW-UHFFFAOYSA-N |
| MDL Number | MFCD11858190 |
| Molecular Formula | C8H11NO3S2 |
| Molecular Weight | 233.3078 |
| SMILES | CC12SCC(C(O)=O)N1C(=O)CSC2 |
| Synonyms | 8a-methyl-5-oxo-hexahydro-[1,3]thiazolo[2,3-c]thiomorpholine-3-carboxylic acid,
1214654-03-1,
8A-methyl-5-oxohexahydrothiazolo[2,3-c][1,4]thiazine-3-carboxylic acid,
AC1Q2QF7,
AKOS026730162,
NE62146,
EN300-44281,
AB01006752-01,
Z594038318,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.3g/mol |
| Monoisotopic Mass | 233.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number