| CAS Number | 1343675-60-4 |
| Catalog Number | AG01B8LQ |
| Chemical Name | 3-[(chlorosulfonyl)(2-methoxyethyl)amino]propanenitrile |
| IUPAC Name | N-(2-cyanoethyl)-N-(2-methoxyethyl)sulfamoyl chloride |
| InChI | InChI=1S/C6H11ClN2O3S/c1-12-6-5-9(4-2-3-8)13(7,10)11/h2,4-6H2,1H3 |
| InChI Key | CPELKQYFRJBIPL-UHFFFAOYSA-N |
| MDL Number | MFCD18309385 |
| Molecular Formula | C6H11ClN2O3S |
| Molecular Weight | 226.6811 |
| SMILES | COCCN(S(Cl)(=O)=O)CCC#N |
| Synonyms | 3-[(chlorosulfonyl)(2-methoxyethyl)amino]propanenitrile,
1343675-60-4,
AKOS012591305,
ZINC109231797,
EN300-201478,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.675g/mol |
| Monoisotopic Mass | 226.018g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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