≥85% 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 | C1CCC2C(C1)S2 |
|---|---|
| IUPAC Name | 7-thiabicyclo[4.1.0]heptane |
| InChIKey | PQWJNIJNYRPOAA-UHFFFAOYSA-N |
| INCHI | 1S/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2 |
| Isomeric SMILES | C1CCC2C(C1)S2 |
| UN Number | 1993 |
| Packing Group | III |
| Molecular Weight | 114.21 |
| Reaxy-Rn | 102752 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102752&ln= |
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 | Thiepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiepanes |
| Alternative Parents | Thiiranes Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Thiepane - Dialkylthioether - Thioether - Thiirane - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2225347 | Certificate of Analysis | Sep 16, 2025 | C347814 |
| K2225374 | Certificate of Analysis | Sep 08, 2025 | C347814 |
| K2225396 | Certificate of Analysis | Sep 08, 2025 | C347814 |
| K2225397 | Certificate of Analysis | Sep 08, 2025 | C347814 |
| C2506168 | Certificate of Analysis | Aug 22, 2022 | C347814 |
| Refractive Index | n20/D 1.527 (lit.) |
|---|---|
| Boil Point(°C) | 55-58° C at 12 mmHg |
| Molecular Weight | 114.210 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 114.05 Da |
| Monoisotopic Mass | 114.05 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 70.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
