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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COCCNC1=NNC(=S)S1 |
|---|---|
| IUPAC Name | 5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione |
| InChIKey | MXOCUHKPVMNCJR-UHFFFAOYSA-N |
| INCHI | 1S/C5H9N3OS2/c1-9-3-2-6-4-7-8-5(10)11-4/h2-3H2,1H3,(H,6,7)(H,8,10) |
| Molecular Weight | 191.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Secondary amines |
| Direct Parent | Secondary alkylarylamines |
| Alternative Parents | 2-amino-1,3,4-thiadiazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl). |
| External Descriptors | Not available |
| Molecular Weight | 191.300 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.019 Da |
| Monoisotopic Mass | 191.019 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |