≥97% 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.
Description
2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt is a thiadiazole derivative useful in medicinal chemistry.
| Canonical Smiles | C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O |
|---|---|
| IUPAC Name | 5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid |
| InChIKey | ANBJJAROENDFHC-UHFFFAOYSA-N |
| INCHI | 1S/C8H7N3S.H2O4S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H2,9,11);(H2,1,2,3,4) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O |
| WGK Germany | 3 |
| Reaxy-Rn | 14194634 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14194634&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiadiazoles |
| Intermediate Tree Nodes | Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles |
| Direct Parent | 2-amino-5-substituted-1,3,4-thiadiazoles |
| Alternative Parents | Organic sulfuric acids Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-amino-5-substituted-1,3,4-thiadiazole - Sulfuric acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position. |
| External Descriptors | Not available |
| Molecular Weight | 275.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 275.003 Da |
| Monoisotopic Mass | 275.003 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 | 2 |
