| CAS Number | 38555-40-7 |
| Catalog Number | AG01AJNN(AGN-PC-01V8MW) |
| Chemical Name | Methyl 4-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate |
| IUPAC Name | methyl 4-(2-methoxy-2-oxoethyl)sulfanylbutanoate |
| InChI | InChI=1S/C8H14O4S/c1-11-7(9)4-3-5-13-6-8(10)12-2/h3-6H2,1-2H3 |
| InChI Key | FBMVQXLEJUVNRY-UHFFFAOYSA-N |
| MDL Number | MFCD00049017 |
| Molecular Formula | C8H14O4S |
| Molecular Weight | 206.2594 |
| SMILES | COC(CCCSCC(OC)=O)=O |
| Synonyms | methyl 4-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate,
38555-40-7,
SCHEMBL621793,
FBMVQXLEJUVNRY-UHFFFAOYSA-N,
ZINC2564143,
AKOS009810989,
NE11040,
FT-0763281,
EN300-81494,
Methyl 4-{[2-(methyloxy)-2-oxoethyl]thio}butanoate,
methyl 4-(2-methoxy-2-oxoethylthio)butanoate,
7400-45-5,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.256g/mol |
| Monoisotopic Mass | 206.061g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number