| CAS Number | 873-81-4 |
| Catalog Number | AG01AC3R(AGN-PC-0WOAWP) |
| Chemical Name | 3-Hydroxy-3-methyl-1lambda6-thiolane-1,1-dione |
| IUPAC Name | 3-methyl-1,1-dioxothiolan-3-ol |
| InChI | InChI=1S/C5H10O3S/c1-5(6)2-3-9(7,8)4-5/h6H,2-4H2,1H3 |
| InChI Key | CDSSBBSQQZEXQD-UHFFFAOYSA-N |
| MDL Number | MFCD18277940 |
| Molecular Formula | C5H10O3S |
| Molecular Weight | 150.1961 |
| SMILES | CC1(CS(=O)(=O)CC1)O |
| Synonyms | 873-81-4,
3-hydroxy-3-methyl-1??-thiolane-1,1-dione,
3-hydroxy-3-methyl-1lambda6-thiolane-1,1-dione,
AKOS012464452,
NE30652,
3-hydroxy-3-methyl-1lambda-thiolane-1,1-dione,
F8881-2332,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.192g/mol |
| Monoisotopic Mass | 150.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number