| Canonical Smiles | C1COCCN1CCNC(=S)NC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-(2-morpholin-4-ylethyl)-3-phenylthiourea |
| InChIKey | ULYUELUHTXYHQQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H19N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h1-5H,6-11H2,(H2,14,15,18) |
| Isomeric SMILES | C1COCCN1CCNC(=S)NC2=CC=CC=C2 |
| PubChem CID | 722642 |
| Molecular Weight | 265.38 |
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 | Morpholines Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylthiourea - Morpholine - Oxazinane - Tertiary amine - Thiourea - Tertiary aliphatic amine - Organoheterocyclic compound - Dialkyl ether - Ether - Azacycle - Oxacycle - Amine - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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 |
| Molecular Weight | 265.380 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 265.125 Da |
| Monoisotopic Mass | 265.125 Da |
| Topological Polar Surface Area | 68.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
