1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-
2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-dione
Also Known As: 1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl-|2-(1,3-Dithiol-2-ylidene)-5-methyl-1-phenyl-1,3-hexanedione|2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-dione|2-(2H-1,3-Dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-dione
CAS: 100673-12-9
| Molecular Formula | C16H16O2S2 |
|---|---|
| Molecular Weight | 304.05917 g/mol |
| LogP | 4.6473 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.05917 |
| Monoisotopic Mass | 304.05917 |
| Heavy Atoms | 20 |
| Complexity | 561.3995 |
Chemical Identifiers
| CAS Number | 100673-12-9 |
|---|---|
| SMILES | CC(C)CC(=O)C(=C1SC=CS1)C(=O)C2=CC=CC=C2 |
Product Overview
1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl- (CAS 100673-12-9), with molecular formula C16H16O2S2 and molecular weight 304.05917 g/mol. IUPAC: 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenylhexane-1,3-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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1,3-Hexanedione, 2-(1,3-dithiol-2-ylidene)-5-methyl-1-phenyl- is a custom synthesis product. We offer services from milligram to kilogram scale.
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