| CAS Number | 879319-18-3 |
| Catalog Number | AG00GUG8 |
| Chemical Name | 2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethylpropanamide |
| IUPAC Name | 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide |
| InChI | InChI=1S/C9H16ClNO3S/c1-3-11(9(12)7(2)10)8-4-5-15(13,14)6-8/h7-8H,3-6H2,1-2H3 |
| InChI Key | VOIBFKKTLCVMCG-UHFFFAOYSA-N |
| MDL Number | MFCD08261046 |
| Molecular Formula | C9H16ClNO3S |
| Molecular Weight | 253.7462 |
| SMILES | CC(Cl)C(N(C(CC1)CS1(=O)=O)CC)=O |
| Synonyms | 2-chloro-N-(1,1-dioxidotetrahydrothien-3-yl)-N-ethylpropanamide,
879319-18-3,
2-Chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethylpropanamide,
AC1Q2YQH,
CTK6E6678,
AKOS001260913,
AKOS016893543,
MCULE-9133787952,
NE25520,
UPCMLD0ENAT5568695:001,
EN300-23405,
J-509038,
2-chloro-N-(1,1-dioxo-1??-thiolan-3-yl)-N-ethylpropanamide,
2-chloro-N-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-N-ethylpropanamide,
2-chloro-N-(1,1-dioxo-1lambda-thiolan-3-yl)-N-ethylpropanamide,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.741g/mol |
| Monoisotopic Mass | 253.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number