| CAS Number | 1446282-39-8 |
| Catalog Number | AG00HX6O(AGN-PC-0WR0M3) |
| Chemical Name | Propanoic acid, 3-[2-[2-(2-mercaptoethoxy)ethoxy]ethoxy]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C13H26O5S/c1-13(2,3)18-12(14)4-5-15-6-7-16-8-9-17-10-11-19/h19H,4-11H2,1-3H3 |
| InChI Key | JLMCOVSNILLDKP-UHFFFAOYSA-N |
| MDL Number | MFCD25424074 |
| Molecular Formula | C13H26O5S |
| Molecular Weight | 294.4075 |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCS |
| Synonyms | Thiol-PEG3-t-butyl ester,
1446282-39-8,
BIPG1843,
ZINC96503522,
BP-21803,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.406g/mol |
| Monoisotopic Mass | 294.15g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number