≥95% 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.
| Sonrisas canónicas | CC1CCC2CC1SC2(C)C |
|---|---|
| IUPAC Name | (1S,4S,5S)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane |
| InChIKey | FAXNZPOZWCWYBD-CIUDSAMLSA-N |
| INCHI | 1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1 |
| Isómeros SMILES | C[C@H]1CC[C@H]2C[C@@H]1SC2(C)C |
| PubChem CID | 56924133 |
| Peso molecular | 170.31 |
| Reaxy-Rn | 105189 |
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 |
| Clase | Thiepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiepanes |
| Alternative Parents | Thiolanes Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Thiepane - Thiolane - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom. |
| External Descriptors | Not available |
| Índice de refracción | 1.52 |
|---|---|
| Rotación específica [α] | +67° (neat) |
| Punto de inflamación (°C) | 79 °C |
| Peso molecular | 170.320 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.113 Da |
| Monoisotopic Mass | 170.113 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(1S,4S,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane - ≥95% CAS No(1208985-45-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/1/T121186.png)