≥98% 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.
| Pubchem Sid | 504762281 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762281 |
| Canonical Smiles | C1CCC(=S)NCC1 |
| IUPAC Name | azepane-2-thione |
| InChIKey | APLHDUWNMGJBFD-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| Isomeric SMILES | C1CCC(=S)NCC1 |
| WGK Germany | 3 |
| RTECS | CM3370000 |
| PubChem CID | 3003736 |
| Molecular Weight | 129.22 |
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 | Azepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepanes |
| Alternative Parents | Thiolactams Azacyclic compounds Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Azepane - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
| 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 |
|---|---|---|---|
 K2111817 | Certificate of Analysis | Aug 20, 2025 | T140461 |
| K2111820 | Certificate of Analysis | Aug 20, 2025 | T140461 |
| K2111822 | Certificate of Analysis | Aug 20, 2025 | T140461 |
| K2111823 | Certificate of Analysis | Aug 20, 2025 | T140461 |
| L1911223 | Certificate of Analysis | Sep 11, 2023 | T140461 |
| Boil Point(°C) | 171°C |
|---|---|
| Melt Point(°C) | 105.0-108.0°C |
| Molecular Weight | 129.229 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 129.061 Da |
| Monoisotopic Mass | 129.061 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 90.500 |
| 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 |
