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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 3-amino-3-thioxopropanoate - ≥96% , CAS No.13621-50-6
Synonyms
2-thiocarbamoylacetic acid ethyl ester | MFCD06245286 | AKOS000118357 | F20893 | IBHOWDPRDYMIMO-UHFFFAOYSA-N | ethyl 2-carbamothioylacetate | FT-0650720 | BS-13001 | HMS1736I10 | EN300-14241 | ethyl 3-amino-3-thioxopropionate | ethyl-3-amino-3-thioxopropa
Storage
Store at 2-8°C,Protected from light,Argon charged
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-thiocarbamoylacetic acid ethyl ester | MFCD06245286 | AKOS000118357 | F20893 | IBHOWDPRDYMIMO-UHFFFAOYSA-N | ethyl 2-carbamothioylacetate | FT-0650720 | BS-13001 | HMS1736I10 | EN300-14241 | ethyl 3-amino-3-thioxopropionate | ethyl-3-amino-3-thioxopropa
Specifications & Purity
≥96%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504761783 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761783 Canonical Smiles CCOC(=O)CC(=S)N IUPAC Name ethyl 3-amino-3-sulfanylidenepropanoate InChIKey IBHOWDPRDYMIMO-UHFFFAOYSA-N INCHI 1S/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9) Isomeric SMILES CCOC(=O)CC(=S)N Molecular Weight 147.2 Reaxy-Rn 1758871 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758871&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organosulfur compounds Class Thioamides Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thioamides Alternative Parents Carboxylic acid esters Thiocarboxylic acid amides Monocarboxylic acids and derivatives Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Thioamide - Carboxylic acid ester - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Thiocarbonyl group - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Light sensitive Molecular Weight 147.200 g/mol XLogP3 0.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 147.035 Da Monoisotopic Mass 147.035 Da Topological Polar Surface Area 84.400 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 124.000 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
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