≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CNC(=O)NC(=S)NC(=O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | N-(methylcarbamoylcarbamothioyl)benzamide |
| InChIKey | JZJVBSGVBZEIDK-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N3O2S/c1-11-9(15)13-10(16)12-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H3,11,12,13,14,15,16) |
| Isomeric SMILES | CNC(=O)NC(=S)NC(=O)C1=CC=CC=C1 |
| PubChem CID | 2768720 |
| Molecular Weight | 237.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Benzoyl derivatives Ureas Thioureas Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzoyl - Carbonic acid derivative - Thiourea - Urea - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 237.280 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 237.057 Da |
| Monoisotopic Mass | 237.057 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
![1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene - ≥90% CAS No(138712-70-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M960869.jpg)