| CAS Number | 67838-56-6 |
| Catalog Number | AG01C99P |
| Chemical Name | 3-(Hydroxymethyl)-1lambda6,2-thiazolidine-1,1-dione |
| IUPAC Name | (1,1-dioxo-1,2-thiazolidin-3-yl)methanol |
| InChI | InChI=1S/C4H9NO3S/c6-3-4-1-2-9(7,8)5-4/h4-6H,1-3H2 |
| InChI Key | GDMWWRUTCBSAFE-UHFFFAOYSA-N |
| MDL Number | MFCD22398593 |
| Molecular Formula | C4H9NO3S |
| Molecular Weight | 151.1842 |
| SMILES | OCC1NS(=O)(=O)CC1 |
| Synonyms | 3-(hydroxymethyl)-1lambda6,2-thiazolidine-1,1-dione,
67838-56-6,
SCHEMBL2080831,
GDMWWRUTCBSAFE-UHFFFAOYSA-N,
3-(hydroxymethyl)isothiazolidine 1,1-dioxide,
3-(Hydroxymethyl)-isothiazolidine 1,1-dioxide,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.18g/mol |
| Monoisotopic Mass | 151.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
Lot Number