| CAS Number | 29099-08-9 |
| Catalog Number | AG01BVNJ(AGN-PC-0JR4H0) |
| Chemical Name | 2-Methylpropane-2-sulfinic acid |
| IUPAC Name | 2-methylpropane-2-sulfinic acid |
| InChI | InChI=1S/C4H10O2S/c1-4(2,3)7(5)6/h1-3H3,(H,5,6) |
| InChI Key | DUWLIIPTRMQEAP-UHFFFAOYSA-N |
| MDL Number | MFCD28360732 |
| Molecular Formula | C4H10O2S |
| Molecular Weight | 122.1860 |
| NSC Number | 227866 |
| SMILES | CC(C)(C)[S@](O)=O |
| Synonyms | 2-methylpropane-2-sulfinic acid,
29099-08-9,
2-methylpropane-2-sulphinic acid,
t-butylsulfinic acid,
NSC227866,
AC1L8KQ3,
SCHEMBL118804,
1,1-dimethylethanesulphinic acid,
DTXSID00330233,
ZINC17044505,
NSC-227866,
InChI=1/C4H10O2S/c1-4(2,3)7(5)6/h1-3H3,(H,5,6,
29099-09-0,
CID428025,
|
| Complexity | 82.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.182g/mol |
| Monoisotopic Mass | 122.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number