≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1CNC(=S)SC1 |
|---|---|
| IUPAC Name | 1,3-thiazinane-2-thione |
| InChIKey | DDDWOMIVMIHAEN-UHFFFAOYSA-N |
| INCHI | 1S/C4H7NS2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6) |
| Isomeric SMILES | C1CNC(=S)SC1 |
| PubChem CID | 2763408 |
| Molecular Weight | 133.24 |
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 | Thiazinanethiones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazinanethiones |
| Alternative Parents | Cyclic dithiocarbamic acid esters Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3-thiazinanethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazinanethiones. These are heterocyclic compounds containing a thioketone group conjugated to a saturated six-member ring with four carbon atoms, one sulfur atom, and one nitrogen. |
| External Descriptors | Not available |
| Melt Point(°C) | 132-134° |
|---|---|
| Molecular Weight | 133.200 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.002 Da |
| Monoisotopic Mass | 133.002 Da |
| Topological Polar Surface Area | 69.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 81.800 |
| 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 |
