| CAS Number | 1394319-79-9 |
| Catalog Number | AG00HVL0(AGN-PC-0WBS6Z) |
| Chemical Name | ethyl 2-(1,1-dioxo-1lambda6-thietan-3-ylidene)acetate |
| IUPAC Name | ethyl 2-(1,1-dioxothietan-3-ylidene)acetate |
| InChI | InChI=1S/C7H10O4S/c1-2-11-7(8)3-6-4-12(9,10)5-6/h3H,2,4-5H2,1H3 |
| InChI Key | YCHWXMHOXSFNCF-UHFFFAOYSA-N |
| MDL Number | MFCD22421708 |
| Molecular Formula | C7H10O4S |
| Molecular Weight | 190.2169 |
| SMILES | O=S1(CC(C1)=CC(=O)OCC)=O |
| Synonyms | Ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate,
1394319-79-9,
Ethyl 2-(1,1-dioxo-1|E6-thietan-3-ylidene)acetate,
SCHEMBL17298097,
CS-D1314,
ZINC95628893,
AKOS016015813,
ethyl 2-(1,1-dioxo-1lambda-thietan-3-ylidene)acetate,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.213g/mol |
| Monoisotopic Mass | 190.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number