| CAS Number | 1016696-29-9 |
| Catalog Number | AG01A3X2 |
| Chemical Name | 5-[2-(2,2-dimethylpropanamido)ethyl]thiophene-2-sulfonyl chloride |
| IUPAC Name | 5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C11H16ClNO3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14) |
| InChI Key | CJBVZTQMDCRUJG-UHFFFAOYSA-N |
| MDL Number | MFCD09812841 |
| Molecular Formula | C11H16ClNO3S2 |
| Molecular Weight | 309.8326 |
| SMILES | CC(C(NCCC1SC(S(Cl)(=O)=O)=CC=1)=O)(C)C |
| Synonyms | 5-[2-(2,2-dimethylpropanamido)ethyl]thiophene-2-sulfonyl chloride,
1016696-29-9,
AKOS000163995,
ZINC100470133,
NE22083,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.823g/mol |
| Monoisotopic Mass | 309.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number