3-Methyl-2-buten-1-yl 2-(phenylthio)acetate
3-methylbut-2-enyl 2-phenylsulfanylacetate
Also Known As: (Phenylthio)acetic acid prenyl ester|(Phenylthio)acetic acid, 3-methylbut-2-enyl ester|3-Methyl-2-buten-1-yl 2-(phenylthio)acetate|3-methylbut-2-enyl 2-phenylsulfanylacetate|J1.339.290K|3-Methylbut-2-en-1-yl (phenylsulfanyl)acetate|(Phenylthio)acetic acid 3-methyl-2-butenyl ester|3-methylbut-2-en-1-yl 2-(phenylsulfanyl)acetate
CAS: 57749-87-8
| Molecular Formula | C13H16O2S |
|---|---|
| Molecular Weight | 236.0871 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.0871 |
| Monoisotopic Mass | 236.0871 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 57749-87-8 |
|---|---|
| SMILES | CC(=CCOC(=O)CSC1=CC=CC=C1)C |
| InChIKey | OYZUVMGOIHHXCB-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-buten-1-yl 2-(phenylthio)acetate (CAS 57749-87-8), with molecular formula C13H16O2S and molecular weight 236.0871 g/mol. IUPAC: 3-methylbut-2-enyl 2-phenylsulfanylacetate.
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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