| CAS Number | 1378905-89-5 |
| Catalog Number | AG01EHS9 |
| Chemical Name | 3,3-diethoxypropanethioamide |
| IUPAC Name | 3,3-diethoxypropanethioamide |
| InChI | InChI=1S/C7H15NO2S/c1-3-9-7(10-4-2)5-6(8)11/h7H,3-5H2,1-2H3,(H2,8,11) |
| InChI Key | BZABVZOANCFYCQ-UHFFFAOYSA-N |
| MDL Number | MFCD16036557 |
| Molecular Formula | C7H15NO2S |
| Molecular Weight | 177.2645 |
| SMILES | CCOC(OCC)CC(N)=S |
| Synonyms | 3,3-diethoxypropanethioamide,
1378905-89-5,
ZINC228944242,
SC-34375,
2,2-diethoxyethanethioamide,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.262g/mol |
| Monoisotopic Mass | 177.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number