≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COCCCN1CC(=O)C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N |
|---|---|
| IUPAC Name | 2-(3-methoxypropyl)-1,1,4-trioxo-3H-thieno[3,2-e]thiazine-6-sulfonamide |
| InChIKey | VCKBAMGUANTCPO-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5H,2-4,6H2,1H3,(H2,11,14,15) |
| Isomeric SMILES | COCCCN1CC(=O)C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N |
| PubChem CID | 15225313 |
| Molecular Weight | 354.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienothiazines |
| Alternative Parents | Aryl alkyl ketones 2,3,5-trisubstituted thiophenes Organosulfonamides 1,2-thiazines Heteroaromatic compounds Aminosulfonyl compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienothiazine - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Ortho-thiazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Ketone - Dialkyl ether - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Thiazine is a 6-membered ring consisting of four carbon, one nitrogen and one sulfur atoms. |
| External Descriptors | Not available |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 354.001 Da |
| Monoisotopic Mass | 354.001 Da |
| Topological Polar Surface Area | 169.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 606.000 |
| 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 |
![2-(3-Methoxypropyl)-4-oxo-3，4-dihydro-2H-thieno[3，2-e][1，2]thiazine-6-sulfonamide 1，1-dioxide - ≥98% CAS No(154127-41-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/7/O728308.jpg)