2,2,4,4-Tetramethylpentane-3-thione
2,2,4,4-tetramethylpentane-3-thione
Also Known As: di-t-butyl thioketone|2,2,4,4-tetramethylpentane-3-thione|Di-tert-butyl thioketone|2,2,4,4-Tetramethypentane-3-thione|3-pentanethione, 2,2,4,4-tetramethyl-|Di-tert-butylthioketon Radikalanion|2,2,4,4-tetramethyl-pentane-3-thione|2,2,4,4-tetramethyl-3-pentanethione
CAS: 54396-69-9
| Molecular Formula | C9H18S |
|---|---|
| Molecular Weight | 158.11292 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.11292 |
| Monoisotopic Mass | 158.11292 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 54396-69-9 |
|---|---|
| SMILES | CC(C)(C)C(=S)C(C)(C)C |
| InChIKey | HMMKPVYDAVOBLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (22 patents)
Organic Building Blocks (3 patents)
Organometallic Reagents (4 patents)
Pharmaceutical Intermediates (9 patents)
Product Overview
2,2,4,4-Tetramethylpentane-3-thione (CAS 54396-69-9), with molecular formula C9H18S and molecular weight 158.11292 g/mol. IUPAC: 2,2,4,4-tetramethylpentane-3-thione.
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.
View MSDS →
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