Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard 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 | CC(C)(C=NOC(=O)NC)S(=O)C |
|---|---|
| IUPAC Name | [(E)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate |
| InChIKey | BXPMAGSOWXBZHS-WEVVVXLNSA-N |
| INCHI | 1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+ |
| Isomeric SMILES | CC(C)(/C=N/OC(=O)NC)S(=O)C |
| WGK Germany | 3 |
| RTECS | UE2075000 |
| Molecular Weight | 206.26 |
| Beilstein | 2212914 |
| Reaxy-Rn | 1962013 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1962013&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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Oxime carbamates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxime carbamates |
| Alternative Parents | Sulfoxides Organic carbonic acids and derivatives Aldoximes Sulfinyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Oxime carbamate - Sulfoxide - Aldoxime - Carbonic acid derivative - Sulfinyl compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxime carbamates. These are oxime ether derivatives with the general formula CC(R)=NOC(=O)N(R')R\", where R-R\" = H or organyl. |
| External Descriptors | Not available |
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| Molecular Weight | 206.270 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.073 Da |
| Monoisotopic Mass | 206.073 Da |
| Topological Polar Surface Area | 87.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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