≥95% 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.
| Pubchem Sid | 508811669 |
|---|---|
| Canonical Smiles | C#CCSCC#C |
| IUPAC Name | 3-prop-2-ynylsulfanylprop-1-yne |
| InChIKey | XPTMJJIPRSWBDK-UHFFFAOYSA-N |
| INCHI | 1S/C6H6S/c1-3-5-7-6-4-2/h1-2H,5-6H2 |
| Isomeric SMILES | C#CCSCC#C |
| PubChem CID | 518812 |
| Molecular Weight | 110.17 |
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 | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| 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 |
|---|---|---|---|
 H2124491 | Certificate of Analysis | Jun 09, 2025 | P160715 |
| H2124492 | Certificate of Analysis | Jun 09, 2025 | P160715 |
| H2124490 | Certificate of Analysis | Sep 11, 2021 | P160715 |
| L2411102 | Certificate of Analysis | Sep 11, 2021 | P160715 |
| Sensitivity | heat sensitive |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°C) | 37 °C |
| Boil Point(°C) | 59°C/14mmHg(lit.) |
| Molecular Weight | 110.180 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 110.019 Da |
| Monoisotopic Mass | 110.019 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 102.000 |
| 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 |
