| CAS Number | 223611-42-5 |
| Catalog Number | AG00I4EV(AGN-PC-093EYW) |
| Chemical Name | Ethanethioic acid, S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ester |
| IUPAC Name | S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate |
| InChI | InChI=1S/C10H20O5S/c1-10(12)16-9-8-15-7-6-14-5-4-13-3-2-11/h11H,2-9H2,1H3 |
| InChI Key | KKUXNAQDZRWEKI-UHFFFAOYSA-N |
| MDL Number | MFCD13184982 |
| Molecular Formula | C10H20O5S |
| Molecular Weight | 252.3278 |
| SMILES | CC(=O)SCCOCCOCCOCCO |
| Synonyms | Ac-s-teg-oh,
223611-42-5,
S-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)thioacetate,
S-acetyl-PEG4-alcohol,
SCHEMBL997382,
BIPG1759,
MFCD13184982,
ZINC83254128,
AKOS030213523,
BP-20682,
11-(Acetylthio)-3,6,9-trioxaundecane-1-ol,
Ethanethioic acid, S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ester,
S-Acetyl-mercapto-tetra(ethylene glycol), S-Acetyl-2-(2-(2-(2-mercaptoethoxy)ethoxy)ethoxy)ethanol,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.325g/mol |
| Monoisotopic Mass | 252.103g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 90.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number