3(2H)-Thiophenone, 2-(1,1-dimethylethyl)-5-methyl-
2-tert-butyl-5-methylthiophen-3-one
Also Known As: 2-tert-butyl-5-methylthiophen-3-one|2-tert-butyl-5-methylthiophen-3(2H)-one|3(2H)-Thiophenone, 2-(1,1-dimethylethyl)-5-methyl-|3(2H)-Thiophenone,2-(1,1-dimethylethyl)-5-methyl-
CAS: 57556-07-7
| Molecular Formula | C9H14OS |
|---|---|
| Molecular Weight | 170.07654 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.07654 |
| Monoisotopic Mass | 170.07654 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 57556-07-7 |
|---|---|
| SMILES | CC1=CC(=O)C(S1)C(C)(C)C |
| InChIKey | OAAHETJNJITZLV-UHFFFAOYSA-N |
Product Overview
3(2H)-Thiophenone, 2-(1,1-dimethylethyl)-5-methyl- (CAS 57556-07-7), with molecular formula C9H14OS and molecular weight 170.07654 g/mol. IUPAC: 2-tert-butyl-5-methylthiophen-3-one.
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 →
3(2H)-Thiophenone, 2-(1,1-dimethylethyl)-5-methyl- is a custom synthesis product. We offer services from milligram to kilogram scale.
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