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 | CC1=CC=C(C=C1)C2=NC(=S)N(C(=S)N2C)C(=NC)C3=CC=C(C=C3)C |
|---|---|
| IUPAC Name | 1-methyl-3-[N-methyl-C-(4-methylphenyl)carbonimidoyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4-dithione |
| InChIKey | RELYFPCUSSMMOR-UHFFFAOYSA-N |
| INCHI | 1S/C20H20N4S2/c1-13-5-9-15(10-6-13)17(21-3)24-19(25)22-18(23(4)20(24)26)16-11-7-14(2)8-12-16/h5-12H,1-4H3 |
| Molecular Weight | 380.500 |
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 | Triazinethiones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinethiones |
| Alternative Parents | Toluenes 1,3,5-triazines Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Toluene - Triazinethione - Monocyclic benzene moiety - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Thiourea - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazinethiones. These are compounds containing a triazine ring which bears a thioketone group. |
| External Descriptors | Not available |
| Molecular Weight | 380.500 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.113 Da |
| Monoisotopic Mass | 380.113 Da |
| Topological Polar Surface Area | 95.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| 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-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,3,5-triazine-2,4(1H,3H)-dithione - CAS No(1180550) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M950950.jpg)