3-Mercaptoheptyl acetate
3-sulfanylheptyl acetate
Also Known As: 3-MERCAPTOHEPTYL ACETATE|3-sulfanylheptyl acetate|3-mercaptoheptyl-acetate|FEMA no. 4289|1,3-Heptanedithiol, 1-acetate|3-sulanylheptyl acetate|3-Mercaptoheptyl acetate [FHFI]|3-Mercapto-1-heptyl acetate|1-Heptanol, 3-mercapto-, 1-acetate|1,3-Heptanedithiol,1-acetate|Acetic acid 3-mercaptoheptyl ester|J3.604.149H
CAS: 548774-80-7
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10275 g/mol |
| LogP | 2.4282 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.10275 |
| Monoisotopic Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 125.696945 |
Chemical Identifiers
| CAS Number | 548774-80-7 |
|---|---|
| SMILES | CCCCC(CCOC(=O)C)S |
Product Overview
3-Mercaptoheptyl acetate (CAS 548774-80-7), with molecular formula C9H18O2S and molecular weight 190.10275 g/mol. IUPAC: 3-sulfanylheptyl acetate.
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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