| Canonical Smiles | C1CSCC(=O)N1 |
|---|---|
| IUPAC Name | thiomorpholin-3-one |
| InChIKey | HBDDRESWUAFAHY-UHFFFAOYSA-N |
| INCHI | 1S/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6) |
| Isomeric SMILES | C1CSCC(=O)N1 |
| PubChem CID | 88402 |
| Molecular Weight | 117.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiazinanes |
| Subclass | Thiomorpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiomorpholines |
| Alternative Parents | Secondary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,4-thiazinane - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Dialkylthioether - Azacycle - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiomorpholines. These are heterocyclic compounds containing a thiomorpholine ring, which is a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2510504 | Certificate of Analysis | Oct 17, 2025 | T191924 |
| L2510505 | Certificate of Analysis | Oct 17, 2025 | T191924 |
| L2510506 | Certificate of Analysis | Oct 17, 2025 | T191924 |
| L2510507 | Certificate of Analysis | Oct 17, 2025 | T191924 |
| Molecular Weight | 117.170 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 117.025 Da |
| Monoisotopic Mass | 117.025 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 83.800 |
| 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 |
