≥90% 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.
| Canonical Smiles | C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32 |
|---|---|
| IUPAC Name | 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylthiourea |
| InChIKey | RHVACLMEUQDVAQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N4O2S/c21-15(10-13-12-8-4-5-9-14(12)22-20-13)18-19-16(23)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,17,19,23) |
| Isomeric SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32 |
| PubChem CID | 1482079 |
| Molecular Weight | 326.38 |
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 | Organoheterocyclic compounds |
| Class | Benzisoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzisoxazoles |
| Alternative Parents | Benzene and substituted derivatives Thiosemicarbazides Isoxazoles Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzisoxazole - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 326.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 326.084 Da |
| Monoisotopic Mass | 326.084 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| 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 |
![2-[2-(1,2-benzisoxazol-3-yl)acetyl]-N-phenyl-1-hydrazinecarbothioamide - ≥90% , CAS No.860651-58-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)