Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| pKa | pKa: 13.34 (Predicted), pKa: 0.81 (Predicted) |
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| Pubchem Sid | 504762361 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762361 |
| Canonical Smiles | C=CC1CNC(=S)O1 |
| IUPAC Name | 5-ethenyl-1,3-oxazolidine-2-thione |
| InChIKey | UZQVYLOFLQICCT-UHFFFAOYSA-N |
| INCHI | 1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8) |
| Isomeric SMILES | C=CC1CNC(=S)O1 |
| Alternate CAS | 13997-13-2,13190-34-6,500-12-9,500-12-9 (L) |
| MeSH Entry Terms | 5-vinyl-2-thiooxazolidone;5-vinyloxazolidin-2-thione;5-vinyloxazolidine-2-thione;epigoitrin;goitrin;goitrin, (+-)-isomer;goitrin, (R)-isomer;goitrin, (S)-isomer |
| Molecular Weight | 129.18 |
| Beilstein | 80669 |
| Reaxy-Rn | 108470 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108470&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 | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidines |
| Alternative Parents | Thiocarbamic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Thiocarbamic acid ester - Oxazolidine - Thiocarbamic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Refractive Index | n20D1.57 (Predicted) |
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| Boil Point(°C) | ~150.60° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 61-66° C |
| Molecular Weight | 129.180 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 129.025 Da |
| Monoisotopic Mass | 129.025 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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