≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Cool 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.
| Canonical Smiles | CN(C)C(=S)SCC=C |
|---|---|
| IUPAC Name | prop-2-enyl N,N-dimethylcarbamodithioate |
| InChIKey | ZFMLVJCASVPGIT-UHFFFAOYSA-N |
| INCHI | 1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3 |
| Isomeric SMILES | CN(C)C(=S)SCC=C |
| Molecular Weight | 161.28 |
| Reaxy-Rn | 1753057 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753057&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 | Organic acids and derivatives |
| Class | Dithiocarbamic acids and derivatives |
| Subclass | Dithiocarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dithiocarbamic acid esters |
| Alternative Parents | Allyl sulfur compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dithiocarbamic acid ester - Allyl sulfur compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dithiocarbamic acid esters. These are organosulfur compounds with the general formula R3SC(=S)N(R1)R2; R1-R2 = H or organyl group, R3 = organyl. |
| External Descriptors | Not available |
| Refractive Index | 1.6 |
|---|---|
| Flash Point(°C) | 71 °C |
| Boil Point(°C) | 108°C/5mmHg(lit.) |
| Molecular Weight | 161.300 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 161.033 Da |
| Monoisotopic Mass | 161.033 Da |
| Topological Polar Surface Area | 60.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
