| CAS Number | 167011-35-0 |
| Catalog Number | AG00AD2Y(AGN-PC-0WB5RJ) |
| Chemical Name | Tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide |
| IUPAC Name | 1,1-dioxothiane-3-carboxylic acid |
| InChI | InChI=1S/C6H10O4S/c7-6(8)5-2-1-3-11(9,10)4-5/h5H,1-4H2,(H,7,8) |
| InChI Key | UGIYZUNKFKCETD-UHFFFAOYSA-N |
| MDL Number | MFCD17078847 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.2062 |
| SMILES | S1(CCCC(C(O)=O)C1)(=O)=O |
| Synonyms | 167011-35-0,
Tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide,
1,1-Dioxo-1lambda~6~-thiane-3-carboxylic acid,
SCHEMBL7443791,
Tetrahydro-2H-thiopyran-3-carboxylic acid-1,1-dioxide,
DTXSID30609348,
172214-41-4,
MFCD17078847,
AKOS013225648,
CS-W023148,
1,1-dioxo-1lambda-thiane-3-carboxylic acid,
Y-7746,
tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide(SALTDATA,
(S)-Tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide,
|
| Complexity | 248 |
| 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 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number