| CAS Number | 1334177-81-9 |
| Catalog Number | AG019DZE |
| Chemical Name | Ethanethioic acid, S-(23-hydroxy-3,6,9,12,15,18,21-heptaoxatricos-1-yl) ester |
| IUPAC Name | S-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate |
| InChI | InChI=1S/C18H36O9S/c1-18(20)28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-19/h19H,2-17H2,1H3 |
| InChI Key | PGTIAXGQNCASCI-UHFFFAOYSA-N |
| MDL Number | MFCD13185027 |
| Molecular Formula | C18H36O9S |
| Molecular Weight | 428.5380 |
| SMILES | OCCOCCOCCOCCOCCOCCOCCOCCSC(=O)C |
| Synonyms | Ac-s-oeg-oh,
S-acetyl-PEG8 alcohol,
AcS-PEG8-OH,
BIPG1761,
MFCD13185027,
ZINC96503446,
AKOS030213564,
BP-21928,
1334177-81-9,
S-Acetyl-mercapto-octa(ethylene glycol), S-Acetyl-23-mercapto-3,6,9,12,15,18,21-heptaoxatricosan-1-ol,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.208g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.537g/mol |
| Monoisotopic Mass | 428.208g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number