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 | CSC1=NC=NC(=N1)N |
|---|---|
| IUPAC Name | 4-methylsulfanyl-1,3,5-triazin-2-amine |
| InChIKey | SQROAKSRUALIEJ-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N4S/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8) |
| Isomeric SMILES | CSC1=NC=NC(=N1)N |
| WGK Germany | 3 |
| Molecular Weight | 142.18 |
| Reaxy-Rn | 126083 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126083&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 |
| Class | Triazines |
| Subclass | 1,3,5-triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methylthio-s-triazines |
| Alternative Parents | Alkyl-2-thio-S-triazines Aminotriazines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Amino-1,3,5-triazine - Aminotriazine - Alkylarylthioether - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methylthio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a methylthio group. |
| External Descriptors | Not available |
| Molecular Weight | 142.190 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 142.031 Da |
| Monoisotopic Mass | 142.031 Da |
| Topological Polar Surface Area | 90.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.600 |
| 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 |
