≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CSCC=C |
|---|---|
| IUPAC Name | 3-methylsulfanylprop-1-ene |
| InChIKey | NVLPQIPTCCLBEU-UHFFFAOYSA-N |
| INCHI | 1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 |
| Isomeric SMILES | CSCC=C |
| WGK Germany | 3 |
| RTECS | UD1015000 |
| UN Number | 1993 |
| Packing Group | II |
| Molecular Weight | 88.17 |
| Beilstein | 1(4)2095 |
| Reaxy-Rn | 1735940 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735940&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 | Allyl sulfur compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Allyl sulfur compounds |
| Alternative Parents | Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as allyl sulfur compounds. These are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. |
| 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 |
|---|---|---|---|
 C2302013 | Certificate of Analysis | Dec 10, 2024 | A101060 |
| C2302014 | Certificate of Analysis | Dec 10, 2024 | A101060 |
| C2302018 | Certificate of Analysis | Dec 10, 2024 | A101060 |
| B1421038 | Certificate of Analysis | Aug 14, 2023 | A101060 |
| K1728052 | Certificate of Analysis | May 08, 2023 | A101060 |
| F2123061 | Certificate of Analysis | Mar 16, 2023 | A101060 |
| F2123062 | Certificate of Analysis | Mar 16, 2023 | A101060 |
| F2123063 | Certificate of Analysis | Mar 16, 2023 | A101060 |
| Refractive Index | 1.47 |
|---|---|
| Flash Point(°F) | 64.4 °F |
| Flash Point(°C) | 18 °C |
| Boil Point(°C) | 92°C |
| Molecular Weight | 88.170 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 88.0347 Da |
| Monoisotopic Mass | 88.0347 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 24.800 |
| 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 |
| 1. Mingzhu Zhou, Yiting Lu, Jinyu Yu, Chao Wang, Wei Yu, Liu Shi, Wenjin Wu, Lan Wang, Yu Qiao. (2025) Characterization of off-flavor compounds in ready-to-heat roasted catfish after reheating by sensomics approach. Food Chemistry-X, [PMID:40831966] [10.1016/j.fochx.2025.102872] |
