| CAS Number | 27869-08-5 |
| Catalog Number | AG01A53B(AGN-PC-0WO4L8) |
| Chemical Name | 1-Cyano-1-methylethane-1-sulfonyl chloride |
| IUPAC Name | 2-cyanopropane-2-sulfonyl chloride |
| InChI | InChI=1S/C4H6ClNO2S/c1-4(2,3-6)9(5,7)8/h1-2H3 |
| InChI Key | WYYCQTCXKZJACX-UHFFFAOYSA-N |
| MDL Number | MFCD19200702 |
| Molecular Formula | C4H6ClNO2S |
| Molecular Weight | 167.6139 |
| SMILES | CC(S(Cl)(=O)=O)(C#N)C |
| Synonyms | 1-cyano-1-methylethane-1-sulfonyl chloride,
27869-08-5,
2-cyanopropane-2-sulfonyl chloride,
ZINC97945875,
AKOS006334285,
NE17694,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.607g/mol |
| Monoisotopic Mass | 166.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number