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 | CSC1=NN2C=CC=C2C(=O)N1 |
|---|---|
| IUPAC Name | 2-methylsulfanyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one |
| InChIKey | FBQWUZRBCRGRAU-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N3OS/c1-12-7-8-6(11)5-3-2-4-10(5)9-7/h2-4H,1H3,(H,8,9,11) |
| Isómeros SMILES | CSC1=NN2C=CC=C2C(=O)N1 |
| Peso molecular | 181.22 |
| Reaxy-Rn | 20501690 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20501690&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 | Organoheterocyclic compounds |
| Clase | Pyrrolotriazines |
| Subclass | Pyrrolo[2,1-f][1,2,4]triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,1-f][1,2,4]triazines |
| Alternative Parents | Alkylarylthioethers 1,2,4-triazines Pyrroles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,1-f][1,2,4]triazine - Aryl thioether - Alkylarylthioether - Triazine - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring. |
| External Descriptors | Not available |
| Peso molecular | 181.220 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.031 Da |
| Monoisotopic Mass | 181.031 Da |
| Topological Polar Surface Area | 71.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 241.000 |
| 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-(Methylthio)pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one - CAS No(1232815-50-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M166646.png)