| CAS Number | 1432681-16-7 |
| Catalog Number | AG01A4A8(AGN-PC-0WOC61) |
| Chemical Name | 2-Cyano-2,2-dimethylethane-1-sulfonyl chloride |
| IUPAC Name | 2-cyano-2-methylpropane-1-sulfonyl chloride |
| InChI | InChI=1S/C5H8ClNO2S/c1-5(2,3-7)4-10(6,8)9/h4H2,1-2H3 |
| InChI Key | DOPCRGLDAAXZDQ-UHFFFAOYSA-N |
| MDL Number | MFCD23701819 |
| Molecular Formula | C5H8ClNO2S |
| Molecular Weight | 181.6405 |
| SMILES | CC(C#N)(CS(Cl)(=O)=O)C |
| Synonyms | 2-cyano-2,2-dimethylethane-1-sulfonyl chloride,
1432681-16-7,
SCHEMBL18631373,
AKOS026729997,
ZINC100471883,
NE17068,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.634g/mol |
| Monoisotopic Mass | 180.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number