| CAS Number | 857284-78-7 |
| Catalog Number | AG00IDRB(AGN-PC-0OK1O1) |
| Chemical Name | Ethanethioic acid, S-[2-[2-(2-methoxyethoxy)ethoxy]ethyl] ester |
| IUPAC Name | S-[2-[2-(2-methoxyethoxy)ethoxy]ethyl] ethanethioate |
| InChI | InChI=1S/C9H18O4S/c1-9(10)14-8-7-13-6-5-12-4-3-11-2/h3-8H2,1-2H3 |
| InChI Key | DTUUOURANKYUBK-UHFFFAOYSA-N |
| MDL Number | MFCD22574766 |
| Molecular Formula | C9H18O4S |
| Molecular Weight | 222.3018 |
| SMILES | CC(=O)SCCOCCOCCOC |
| Synonyms | m-PEG3-S-Acetyl,
857284-78-7,
BIPG1640,
ZINC83254035,
BP-20976,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.299g/mol |
| Monoisotopic Mass | 222.093g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number