| CAS Number | 19606-92-9 |
| Catalog Number | AG01AC78(AGN-PC-00MZKR) |
| Chemical Name | Ethyl 3,3-bis(methylsulfanyl)prop-2-enoate |
| IUPAC Name | ethyl 3,3-bis(methylsulfanyl)prop-2-enoate |
| InChI | InChI=1S/C7H12O2S2/c1-4-9-6(8)5-7(10-2)11-3/h5H,4H2,1-3H3 |
| InChI Key | JJORKHOIYUBGBD-UHFFFAOYSA-N |
| MDL Number | MFCD26407905 |
| Molecular Formula | C7H12O2S2 |
| Molecular Weight | 192.2990 |
| SMILES | CSC(=CC(=O)OCC)SC |
| Synonyms | ethyl 3,3-bis(methylsulfanyl)prop-2-enoate,
19606-92-9,
SCHEMBL4181749,
Ethyl 3,3-Bis(methylthio)acrylat,
ZINC95829649,
3,3-Di(methylthio)propenoic acid ethyl ester,
EN300-137892,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.291g/mol |
| Monoisotopic Mass | 192.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number