| CAS Number | 30196-20-4 |
| Catalog Number | AG01B1CA(AGN-PC-0WOUE5) |
| Chemical Name | Octahydrocyclopenta[b]thiomorpholine |
| IUPAC Name | 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine |
| InChI | InChI=1S/C7H13NS/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2 |
| InChI Key | IJJUBIFQLYZYPO-UHFFFAOYSA-N |
| MDL Number | MFCD19159789 |
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.2498 |
| SMILES | C1CC2C(NCCS2)C1 |
| Synonyms | octahydrocyclopenta[b]thiomorpholine,
octahydrocyclopenta[b][1,4]thiazine,
30196-20-4,
SCHEMBL16877757,
IJJUBIFQLYZYPO-UHFFFAOYSA-N,
AKOS006220754,
NE45445,
Z2142014526,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.248g/mol |
| Monoisotopic Mass | 143.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number