Isooctyl 3-mercaptopropionate
6-methylheptyl 3-sulfanylpropanoate
Also Known As: Isooctyl 3-mercaptopropionate|6-Methylheptyl 3-mercaptopropanoate|6-Methylheptyl 3-sulfanylpropanoate|Propanoic acid, 3-mercapto-, isooctyl ester|isooctyl mercaptopropionate|6-Methylheptyl 3-mercaptopropionate|DSSTox_CID_24911|DSSTox_RID_80580|DSSTox_GSID_44911|isooctyl 3-mercaptopropanoate|isooctyl-3-mercaptopropionate|3-mercaptopropionic acid isooctyl ester|EINECS 250-157-6|ISOOCTYL3-MERCAPTOPROPIONATE|EINECS 289-472-9|6-methylheptyl3-mercaptopropionate|Tox21_301276|5907AF|6-Methylheptyl 3-sulfanylpropanoate #|CS-W014784|Isooctyl 3-mercaptopropionate, >=99%|Propanoic acid, 3-mercapto-, 6-methylheptyl ester|EC 250-157-6|NCGC00256140-01|CAS-30374-01-7|Propanoic acid,3-mercapto-, isooctyl ester
| Molecular Formula | C11H22O2S |
|---|---|
| Molecular Weight | 218.13405 g/mol |
| LogP | 3.07 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.13405 |
| Heavy Atoms | 14 |
| Complexity | 146.2 |
Chemical Identifiers
| CAS Number | 30374-01-7 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCS |
Product Overview
Isooctyl 3-mercaptopropionate (CAS 30374-01-7), with molecular formula C11H22O2S and molecular weight 218.13405 g/mol. IUPAC: 6-methylheptyl 3-sulfanylpropanoate.
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