| CAS Number | 78429-90-0 |
| Catalog Number | AG01AHVV(AGN-PC-0WOADC) |
| Chemical Name | 4-methylpentane-2-sulfonyl chloride |
| IUPAC Name | 4-methylpentane-2-sulfonyl chloride |
| InChI | InChI=1S/C6H13ClO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3 |
| InChI Key | UDICPXQQCPKMFG-UHFFFAOYSA-N |
| MDL Number | MFCD16671795 |
| Molecular Formula | C6H13ClO2S |
| Molecular Weight | 184.6842 |
| SMILES | CC(CC(S(Cl)(=O)=O)C)C |
| Synonyms | 4-methylpentane-2-sulfonyl chloride,
78429-90-0,
SCHEMBL11240691,
4-Methyl-2-pentanesulfonyl chloride,
AKOS011364062,
NE16047,
EN300-75959,
2-Methylpentan-4-sulfochlorid,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.678g/mol |
| Monoisotopic Mass | 184.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number