1-(Benzenesulfinyl)tetrahydropentalene-2,5(1H,3H)-dione
1-(benzenesulfinyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
Also Known As: 1-(Benzenesulfinyl)tetrahydropentalene-2,5(1H,3H)-dione|1-(benzenesulfinyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dio|1-(benzenesulfinyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CAS: 89074-11-3
| Molecular Formula | C14H14O3S |
|---|---|
| Molecular Weight | 262.06638 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.06638 |
| Monoisotopic Mass | 262.06638 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 89074-11-3 |
|---|---|
| SMILES | C1C2CC(=O)C(C2CC1=O)S(=O)C3=CC=CC=C3 |
| InChIKey | OYSLFBITJBQZMY-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfinyl)tetrahydropentalene-2,5(1H,3H)-dione (CAS 89074-11-3), with molecular formula C14H14O3S and molecular weight 262.06638 g/mol. IUPAC: 1-(benzenesulfinyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione.
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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1-(Benzenesulfinyl)tetrahydropentalene-2,5(1H,3H)-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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