| Canonical Smiles | CCCCCCCCCCCCSC |
|---|---|
| IUPAC Name | 1-methylsulfanyldodecane |
| InChIKey | KJWHJDGMOQJLGF-UHFFFAOYSA-N |
| INCHI | 1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCCCCCSC |
| WGK Germany | 3 |
| Molecular Weight | 216.43 |
| Beilstein | 1(4)1851 |
| Reaxy-Rn | 1739960 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739960&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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Dialkylthioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkylthioethers |
| Alternative Parents | Sulfenyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. |
| 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 |
|---|---|---|---|
 I2216165 | Certificate of Analysis | Jun 15, 2026 | D103106 |
| D1817033 | Certificate of Analysis | Nov 10, 2025 | D103106 |
| D1817032 | Certificate of Analysis | Nov 10, 2025 | D103106 |
| A2429264 | Certificate of Analysis | Jan 13, 2024 | D103106 |
| A2429266 | Certificate of Analysis | Jan 13, 2024 | D103106 |
| F1512076 | Certificate of Analysis | Apr 11, 2023 | D103106 |
| C23311666 | Certificate of Analysis | Jul 16, 2022 | D103106 |
| F23151022 | Certificate of Analysis | Jul 16, 2022 | D103106 |
| I2216166 | Certificate of Analysis | Jul 16, 2022 | D103106 |
| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.461 |
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 110°C |
| Melt Point(°C) | -2°C |
| Molecular Weight | 216.430 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 11 |
| Exact Mass | 216.191 Da |
| Monoisotopic Mass | 216.191 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 91.200 |
| 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 |
