| CAS Number | 1342738-83-3 |
| Catalog Number | AG01A11A(AGN-PC-0WO1C8) |
| Chemical Name | OCTAHYDROPYRANO[3,4-B]THIOMORPHOLINE |
| IUPAC Name | 1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]thiazine |
| InChI | InChI=1S/C7H13NOS/c1-3-9-5-7-6(1)8-2-4-10-7/h6-8H,1-5H2 |
| InChI Key | OYZWONKHWLFYPE-UHFFFAOYSA-N |
| MDL Number | MFCD20287196 |
| Molecular Formula | C7H13NOS |
| Molecular Weight | 159.2492 |
| SMILES | C1NC2C(COCC2)SC1 |
| Synonyms | octahydropyrano[3,4-b]thiomorpholine,
1342738-83-3,
OCTAHYDROPYRANO[3,4-B][1,4]THIAZINE,
SCHEMBL16878727,
AKOS013602959,
MCULE-8942151982,
NE30594,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.247g/mol |
| Monoisotopic Mass | 159.072g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number