| CAS Number | 1251907-36-4 |
| Catalog Number | AG01FDUL(AGN-PC-3H4A04) |
| Chemical Name | 2-[(chlorosulfonyl)(methyl)amino]acetonitrile |
| IUPAC Name | N-(cyanomethyl)-N-methylsulfamoyl chloride |
| InChI | InChI=1S/C3H5ClN2O2S/c1-6(3-2-5)9(4,7)8/h3H2,1H3 |
| InChI Key | LWZABXVWZKNQDF-UHFFFAOYSA-N |
| MDL Number | MFCD18917107 |
| Molecular Formula | C3H5ClN2O2S |
| Molecular Weight | 168.602 |
| SMILES | CN(S(=O)(=O)Cl)CC#N |
| Synonyms | Methylcyanomethylsulfamoyl chloride,
1251907-36-4,
SCHEMBL566707,
LWZABXVWZKNQDF-UHFFFAOYSA-N,
(cyanomethyl)methylsulfamyl chloride,
ZINC100552838,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.595g/mol |
| Monoisotopic Mass | 167.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number