| CAS Number | 18458-93-0 |
| Catalog Number | AG01BU7A(AGN-PC-01WGBH) |
| Chemical Name | 2-Methyl-1,1-dioxo-1lambda6-thiolane-2-carboxylic acid |
| IUPAC Name | 2-methyl-1,1-dioxothiolane-2-carboxylic acid |
| InChI | InChI=1S/C6H10O4S/c1-6(5(7)8)3-2-4-11(6,9)10/h2-4H2,1H3,(H,7,8) |
| InChI Key | PAFFRZYIBZKWRJ-UHFFFAOYSA-N |
| MDL Number | MFCD20644526 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.2062 |
| SMILES | CC1(C(O)=O)S(=O)(=O)CCC1 |
| Synonyms | 2-methyl-1,1-dioxo-1lambda6-thiolane-2-carboxylic acid,
18458-93-0,
SCHEMBL7423058,
AKOS024200685,
2-Carboxy-2-methyltetrahydrothiophene 1,1-dioxide,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.202g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number