| CAS Number | 1807518-78-0 |
| Catalog Number | AG00I07U(AGN-PC-0WR1RS) |
| Chemical Name | Propargyl-PEG1-SS-PEG1-t-butyl ester |
| IUPAC Name | tert-butyl 3-[2-(2-prop-2-ynoxyethyldisulfanyl)ethoxy]propanoate |
| InChI | InChI=1S/C14H24O4S2/c1-5-7-16-9-11-19-20-12-10-17-8-6-13(15)18-14(2,3)4/h1H,6-12H2,2-4H3 |
| InChI Key | HXQOZIFQBVKJGA-UHFFFAOYSA-N |
| MDL Number | MFCD28505559 |
| Molecular Formula | C14H24O4S2 |
| Molecular Weight | 320.4680 |
| SMILES | C(C#C)OCCSSCCOCCC(=O)OC(C)(C)C |
| Synonyms | Propargyl-PEG1-SS-PEG1-t-butyl ester,
1807518-78-0,
BIPG1741,
ZINC230493495,
BP-22669,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.462g/mol |
| Monoisotopic Mass | 320.112g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number