≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC(=O)NS(=O)(=O)C1 |
|---|---|
| IUPAC Name | 1,1-dioxothiazinan-3-one |
| InChIKey | PBILQPVGEGXWKT-UHFFFAOYSA-N |
| INCHI | 1S/C4H7NO3S/c6-4-2-1-3-9(7,8)5-4/h1-3H2,(H,5,6) |
| Isomeric SMILES | C1CC(=O)NS(=O)(=O)C1 |
| Molecular Weight | 149.2 |
| Reaxy-Rn | 39707569 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39707569&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiazinanes |
| Subclass | Delta sultams |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Delta sultams |
| Alternative Parents | Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Delta-sultam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta sultams. These are cyclic organic compounds containing a 1,2-thiazinane-1,1-dione moiety. |
| External Descriptors | Not available |
| Molecular Weight | 149.170 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 149.015 Da |
| Monoisotopic Mass | 149.015 Da |
| Topological Polar Surface Area | 71.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 212.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
