for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3 |
|---|---|
| IUPAC Name | ethyl 2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| InChIKey | PPFLUKYHYXIBFN-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N2O2S2/c1-2-21-16(20)14-12-9-6-10-13(12)23-15(14)19-17(22)18-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,18,19,22) |
| Peso molecular | 346.5 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Thiophene carboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-phenylthiourea - Thiophene carboxylic acid or derivatives - Thiophene - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Thiourea - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group. |
| External Descriptors | Not available |
| Peso molecular | 346.500 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 346.081 Da |
| Monoisotopic Mass | 346.081 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 440.000 |
| 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 |
