≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504760177 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760177 |
| Canonical Smiles | CNC1=NN=C(S1)SCC2=CC=CC=C2 |
| IUPAC Name | 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine |
| InChIKey | KFLNRVSOQJTXDG-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12) |
| Isomeric SMILES | CNC1=NN=C(S1)SCC2=CC=CC=C2 |
| Molecular Weight | 237.34 |
| Reaxy-Rn | 203660 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=203660&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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Secondary alkylarylamines Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Secondary aliphatic/aromatic amine - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Sulfenyl compound - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2212562 | Certificate of Analysis | Dec 09, 2024 | M287065 |
| C2212574 | Certificate of Analysis | Dec 09, 2024 | M287065 |
| C2212579 | Certificate of Analysis | Dec 09, 2024 | M287065 |
| C2212580 | Certificate of Analysis | Dec 09, 2024 | M287065 |
| C2212581 | Certificate of Analysis | Dec 09, 2024 | M287065 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 23.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 23.73, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 237.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 237.039 Da |
| Monoisotopic Mass | 237.039 Da |
| Topological Polar Surface Area | 91.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
