octahydro-2H-1-benzothiopyran
3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
Also Known As: thiadecalin|Octahydro-2H-thiochromene|Octahydro-2H-1-benzothiopyran|2H-1-benzothiopyran, octahydro-|3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene|856-667-0
CAS: 29100-30-9
| Molecular Formula | C9H16S |
|---|---|
| Molecular Weight | 156.09727 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.09727 |
| Monoisotopic Mass | 156.09727 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 29100-30-9 |
|---|---|
| SMILES | C1CCC2C(C1)CCCS2 |
| InChIKey | ILOILTHGYLSHSI-UHFFFAOYSA-N |
Product Overview
octahydro-2H-1-benzothiopyran (CAS 29100-30-9), with molecular formula C9H16S and molecular weight 156.09727 g/mol. IUPAC: 3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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