≥97% 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 | 488183184 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183184 |
| Canonical Smiles | CCOC(=O)CN=C=S |
| IUPAC Name | ethyl 2-isothiocyanatoacetate |
| InChIKey | IYPSSPPKMLXXRN-UHFFFAOYSA-N |
| INCHI | 1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3 |
| Isomeric SMILES | CCOC(=O)CN=C=S |
| WGK Germany | 3 |
| RTECS | AI5020000 |
| UN Number | 2810 |
| Molecular Weight | 145.18 |
| Beilstein | 4(2)800 |
| Reaxy-Rn | 507542 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507542&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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Isothiocyanates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Carboxylic acid ester - Isothiocyanate - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| 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 |
|---|---|---|---|
 D2311889 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2311890 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2311930 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2311934 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2311963 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2311995 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| D2318714 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| K2421087 | Certificate of Analysis | Mar 31, 2023 | E101903 |
| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.502 |
| Flash Point(°F) | 228.2 °F |
| Flash Point(°C) | 109 °C |
| Boil Point(°C) | 104-106°C/7mmHg |
| Molecular Weight | 145.180 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 145.02 Da |
| Monoisotopic Mass | 145.02 Da |
| Topological Polar Surface Area | 70.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |
