| CAS Number | 877964-32-4 |
| Catalog Number | AG019PAW |
| Chemical Name | 2-chloro-N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-methoxyethyl)acetamide |
| IUPAC Name | 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide |
| InChI | InChI=1S/C9H16ClNO4S/c1-15-4-3-11(9(12)6-10)8-2-5-16(13,14)7-8/h8H,2-7H2,1H3 |
| InChI Key | VPLVJJBODXVKPS-UHFFFAOYSA-N |
| MDL Number | MFCD07440312 |
| Molecular Formula | C9H16ClNO4S |
| Molecular Weight | 269.7456 |
| SMILES | COCCN(C(CCl)=O)C1CS(=O)(=O)CC1 |
| Synonyms | 877964-32-4,
2-chloro-N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-methoxyethyl)acetamide,
2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methoxyethyl)acetamide,
AC1Q4FV8,
CTK7B3210,
AKOS001210366,
AKOS016044564,
MCULE-5797924357,
NE13679,
EN300-23020,
2-chloro-N-(1,1-dioxo-1??-thiolan-3-yl)-N-(2-methoxyethyl)acetamide,
2-chloro-N-(1,1-dioxo-1lambda-thiolan-3-yl)-N-(2-methoxyethyl)acetamide,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.74g/mol |
| Monoisotopic Mass | 269.049g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number