≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | CCNC(=S)NC1=CC=CC=C1 |
|---|---|
| IUPAC Name | 1-ethyl-3-phenylthiourea |
| InChIKey | OROCFDLTBPBLFS-UHFFFAOYSA-N |
| INCHI | 1S/C9H12N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12) |
| Isomeric SMILES | CCNC(=S)NC1=CC=CC=C1 |
| Molecular Weight | 180.27 |
| Reaxy-Rn | 638229 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638229&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Thioureas Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylthiourea - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2524187 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| C2524233 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| C2524234 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| C2524235 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| C2524236 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| C2524237 | Certificate of Analysis | Mar 17, 2025 | E169197 |
| Sensitivity | Air sensitive |
|---|---|
| Melt Point(°C) | 68-69°C |
| Molecular Weight | 180.270 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 180.072 Da |
| Monoisotopic Mass | 180.072 Da |
| Topological Polar Surface Area | 56.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
