≥98% 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 | CCN(CC)C(=S)SCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | benzyl N,N-diethylcarbamodithioate |
| InChIKey | SNBMGLUIIGFNFE-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 |
| Isomeric SMILES | CCN(CC)C(=S)SCC1=CC=CC=C1 |
| Molecular Weight | 239.40 |
| Reaxy-Rn | 2212786 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212786&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Dithiocarbamic acid esters Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Dithiocarbamic acid ester - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 L2516311 | Certificate of Analysis | Dec 08, 2025 | B152610 |
| L2516520 | Certificate of Analysis | Dec 08, 2025 | B152610 |
| L2516521 | Certificate of Analysis | Dec 08, 2025 | B152610 |
| L2516528 | Certificate of Analysis | Dec 08, 2025 | B152610 |
| Refractive Index | 1.62 |
|---|---|
| Boil Point(°C) | 172°C/15mmHg |
| Molecular Weight | 239.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 239.08 Da |
| Monoisotopic Mass | 239.08 Da |
| Topological Polar Surface Area | 60.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
