| CAS Number | 97716-80-8 |
| Catalog Number | AG01BA3B(AGN-PC-0BPOLA) |
| Chemical Name | 2-cyanoethanesulfonamide |
| IUPAC Name | 2-cyanoethanesulfonamide |
| InChI | InChI=1S/C3H6N2O2S/c4-2-1-3-8(5,6)7/h1,3H2,(H2,5,6,7) |
| InChI Key | LQVQJTDKXVPNIL-UHFFFAOYSA-N |
| MDL Number | MFCD12783415 |
| Molecular Formula | C3H6N2O2S |
| Molecular Weight | 134.1569 |
| SMILES | NS(CCC#N)(=O)=O |
| Synonyms | 2-cyanoethane-1-sulfonamide,
97716-80-8,
2-Cyanoethanesulfonamide,
SCHEMBL2127275,
ZINC38136969,
AKOS010297306,
Z2044769404,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.153g/mol |
| Monoisotopic Mass | 134.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number