| CAS Number | 78429-86-4 |
| Catalog Number | AG01A1RC(AGN-PC-0WO9GD) |
| Chemical Name | 2-Methylbutane-1-sulfonyl chloride |
| IUPAC Name | 2-methylbutane-1-sulfonyl chloride |
| InChI | InChI=1S/C5H11ClO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3 |
| InChI Key | JLBKFFNJUYWPMW-UHFFFAOYSA-N |
| MDL Number | MFCD16679028 |
| Molecular Formula | C5H11ClO2S |
| Molecular Weight | 170.6576 |
| SMILES | CCC(CS(Cl)(=O)=O)C |
| Synonyms | 2-methylbutane-1-sulfonyl chloride,
78429-86-4,
2-Methyl-1-butanesulfonyl chloride,
2-methyl-butanesulfonylchloride,
SCHEMBL5078905,
AKOS011362596,
NE16053,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.651g/mol |
| Monoisotopic Mass | 170.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number